SCHEMBL10413899

SCHEMBL10413899

CCOC(=O)c1cn(-c2ccc(F)cc2F)c2cc(C3=CCN(C(C)=O)CC3)c(F)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ KMT2A Q03164 3/20 0.40
▸ PIM1 P11309 1/20 0.39
▸ IRAK1 P51617 1/20 0.39
▸ CAMK2B Q13554 1/20 0.39
▸ CAMK2G Q13555 1/20 0.39
▸ CAMK2D Q13557 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38

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
SCHEMBL10412611 0.91 CCNT1 (0.41) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL10413303 0.86 KMT2A (0.44) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL10413402 0.84 HSD17B10 (0.56) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL9731576 0.82 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL5258973 0.81 KMT2A (0.57) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL2089304 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL10414001 0.76 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6780213 0.76 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL10471178 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL10413071 0.75 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10KMT2A

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
US-4945160-A Preparation of certain 7-substituted quinolones WARNER-LAMBERT COMPANY (US) 1990-07-31 — — US disclosed
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