SCHEMBL8504853

SCHEMBL8504853

COc1ccc(C(=O)c2cccc(Cn3ncccc3=O)c2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.49
▸ NPBWR1 P48145 11/20 0.47
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CMA1 P23946 1/20 0.42
▸ CYP19A1 P11511 2/20 0.40
▸ HPGD P15428 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39

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
SCHEMBL8505745 0.88 KMT2A (0.44) KMT2ANPBWR1MAPTRAB9ACYP19A1
SCHEMBL8501886 0.88 NPBWR1 (0.45) KMT2ANPBWR1MAPTRAB9ACYP19A1
SCHEMBL8503193 0.88 NR4A1 (0.40) KMT2AMAPTRAB9ACYP19A1
SCHEMBL8504945 0.85 NPBWR1 (0.39) KMT2ANPBWR1RAB9ACYP19A1HPGD
SCHEMBL7589793 0.75 KMT2A (0.58) KMT2AMAPTRAB9AHPGD
SCHEMBL27501601 0.75 NPBWR1 (0.56) NPBWR1MAPTCMA1
SCHEMBL8504856 0.73 ALDH1A1 (0.47) KMT2AMAPTRAB9ACYP19A1HPGD
SCHEMBL8501895 0.73 HTT (0.40) KMT2AMAPTRAB9AHPGD
SCHEMBL7580985 0.72 KMT2A (0.55) KMT2AMAPTRAB9AHPGD
SCHEMBL7583543 0.72 KMT2A (0.65) KMT2AMAPTRAB9AHPGD

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-5886178-A ADMINISTERING OF A PROSTAGLANDIN G/H SYNTHASE INHIBITOR TO A PATIENT TO TREAT INFLAMMATORY OR AUTOIMMUNE DISEASES SYNTEX (U.S.A.) INC. (US) 1999-03-23 — — US disclosed
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