SCHEMBL20059820

SCHEMBL20059820

Cc1cc(C(=O)N2CCCCC2)ccc1C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 9/20 0.61
▸ KMT2A Q03164 1/20 0.59
▸ PLA2G7 Q13093 1/20 0.58
▸ TSHR P16473 2/20 0.57
▸ ALDH1A1 P00352 5/20 0.55
▸ USP2 O75604 1/20 0.55
▸ MAPK1 P28482 1/20 0.53
▸ CYP2C9 P11712 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CNR2 P34972 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ ATM Q13315 1/20 0.51

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
SCHEMBL17689127 0.80 HPGD (0.73) HPGDKMT2APLA2G7TSHRALDH1A1
SCHEMBL6471454 0.79 HPGD (0.60) HPGDKMT2APLA2G7TSHRALDH1A1
SCHEMBL12569383 0.78 HPGD (0.73) HPGDKMT2APLA2G7TSHRALDH1A1
SCHEMBL12337417 0.78 ALDH1A1 (0.61) HPGDKMT2AALDH1A1USP2CYP2C9
SCHEMBL436090 0.78 HPGD (1.00) HPGDTSHRALDH1A1USP2MAPK1
SCHEMBL243236 0.78 HPGD (1.00) HPGDTSHRALDH1A1USP2MAPK1
SCHEMBL27929296 0.78 HPGD (1.00) HPGDTSHRALDH1A1USP2MAPK1
SCHEMBL1927946 0.78 HPGD (1.00) HPGDTSHRALDH1A1USP2MAPK1
SCHEMBL8919062 0.78 HPGD (1.00) HPGDTSHRALDH1A1USP2MAPK1
SCHEMBL10242018 0.77 HPGD (0.65) HPGDKMT2APLA2G7TSHRALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3100745-B1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2018-04-18 — — EP disclosed
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