SCHEMBL9078534

SCHEMBL9078534

O=C(O)c1cn(CCF)c2cc(N3CCNC4(CC4)C3)c(F)cc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.66
▸ KDM4E B2RXH2 6/20 0.60
▸ HPGD P15428 6/20 0.60
▸ HSD17B10 Q99714 5/20 0.60
▸ LMNA P02545 4/20 0.60
▸ HTT P42858 3/20 0.60
▸ TSHR P16473 2/20 0.60
▸ BRD4 O60885 1/20 0.60
▸ CYP2J2 P51589 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ DRD3 P35462 1/20 0.56
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ CYP1A2 P05177 1/20 0.50
▸ TOP2A P11388 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ TOP2B Q02880 1/20 0.50
▸ HIF1A Q16665 1/20 0.47
▸ USP2 O75604 1/20 0.46

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
SCHEMBL9080951 0.91 KDM4E (0.74) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL10915570 0.85 ALDH1A1 (0.80) ALDH1A1KDM4EHPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL11023756 0.84 ALDH1A1 (0.79) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9078272 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL8775530 0.83 KDM4E (0.74) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9080323 0.82 KDM4E (0.68) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9079201 0.81 LMNA (0.61) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9080289 0.81 KDM4E (0.60) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9080438 0.81 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9080171 0.81 KDM4E (0.58) ALDH1A1KDM4EHPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508428-A Spiro compound DAIICHI PHAMACEUTICAL CO., LTD. (JP) 1996-04-16 — — US disclosed
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 — — US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 — — EP disclosed
EP-0529688-A2 Azaspiro n,m alkanes and diazaspiro n,m -alkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 — — EP disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 — — EP disclosed
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