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Sugi Predict / Compounds / SCHEMBL8434174

SCHEMBL8434174

SCHEMBL8434174

O=CN1CCN(c2c(Cl)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ POLB P06746 2/20 0.52
▸ OPRM1 P35372 2/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ OPRD1 P41143 1/20 0.52
▸ TOP2A P11388 6/20 0.50
▸ TOP2B Q02880 6/20 0.50
▸ KCNH2 Q12809 5/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10647453 0.88 ALDH1A1 (0.40) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8437944 0.87 ALDH1A1 (0.61) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8435067 0.87 LMNA (0.58) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8433086 0.86 ALDH1A1 (0.61) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8437440 0.86 ALDH1A1 (0.52) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8435422 0.86 ALDH1A1 (0.53) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8435557 0.86 ALDH1A1 (0.54) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8437526 0.86 ALDH1A1 (0.54) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8433503 0.86 TOP2A (0.58) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL8435032 0.84 ALDH1A1 (0.50) ALDH1A1POLBOPRM1CHRM2CHRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5969141-A Intermediates for 7-amino-1-cyclopropyl-6,8-dihalogeno-1,4-dihydro-4-oxo-3-quinolinecarbox ylic acid antibacterial agents BAYER AKTIENGESELLSCHAFT (DE) 1999-10-19 — — US disclosed
US-5777181-A 2, 4, 5-trihalogeno- and 2, 3, 4, 5-tetrahalogenobenzene derivatives BAYER AKTIENGESELLSCHAFT (DE) 1998-07-07 — — US disclosed
US-5571812-A TREATMENT OF INFECTIONS OF GRAMNEGATIVE AND GRAMPOSITIVE BACTERIA BAYER AKTIENGESELLSCHAFT (DE) 1996-11-05 — — US disclosed
US-5565614-A FLUORINATION BAYER AKTIENGESELLSCHAFT (DE) 1996-10-15 — — US disclosed
US-5530158-A CHEMICAL INTERMEDIATE FOR ANTIBACTERIALS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 — — US disclosed
US-5468861-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1995-11-21 — — US disclosed
US-5362909-A Two stage fluorination BAYER AKTIENGESELLSCHAFT (DE) 1994-11-08 — — US disclosed
US-5200548-A Intermediates for bactericides BAYER AKTIENGESELLSCHAFT (DE) 1993-04-06 — — US disclosed
US-5072038-A Chemical intermediates for bactericides BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 — — US disclosed
CN-1007977-B PROCESS FOR THE PREPARATION OF 7-AMINO-1-CYCLOPXOPYL-6, 8-DIHALOGENO-1, 4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLIC ACIDS BAYER AG (DE) 1990-05-16 — — CN disclosed
EP-0164619-B1 2,4,5-TRIHALO OR 2,3,4,5-TETRAHALO BENZENE DERIVATIVES AND PROCESS FOR PRODUCING THEM BAYER AG (DE) 1988-10-12 — — EP disclosed
EP-0167763-B1 7-AMINO-1-CYCLOPROPYL-6,8-DIHALO-1,4-DIHYDRO-4-OXO-3-QUINOLINE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND BACTERICIDAL AGENTS CONTAINING THEM BAYER AG (DE) 1988-08-03 — — EP disclosed