SCHEMBL9201867

SCHEMBL9201867

Clc1ccc(Cn2ccc3cc(OCc4ccccn4)ccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.47
ALOX5 P09917 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP19A1 P11511 1/20 0.46
PTGES2 Q9H7Z7 1/20 0.45
NR1H4 Q96RI1 2/20 0.43
KMT2A Q03164 2/20 0.43
P2RX3 P56373 1/20 0.42
FFAR1 O14842 1/20 0.42
PDE10A Q9Y233 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL6086123 0.84 MAPK14 (0.54) ALOX5KMT2ANPC1HSP90AA1RAB9A
SCHEMBL9205336 0.84 KDM4C (0.46) ALOX5APCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL9202041 0.84 ALOX5AP (0.55) ALOX5APALOX5CYP3A4CYP2C9PDE10A
SCHEMBL9208196 0.82 ALOX5 (0.48) ALOX5APALOX5NR1H4KMT2AMAPT
SCHEMBL9210189 0.82 MEN1 (0.48) ALOX5APALOX5CYP19A1NR1H4KMT2A
SCHEMBL17067762 0.79 HTR5A (0.46) CYP19A1NR1H4KMT2AFFAR1KDM4E
SCHEMBL3193186 0.78 MAPK14 (0.61) ALOX5KMT2ANPC1HSP90AA1RAB9A
SCHEMBL9208310 0.77 KMT2A (0.43) NR1H4KMT2AMAPTNPC1HSP90AA1
SCHEMBL9208306 0.77 KMT2A (0.40) NR1H4KMT2AMAPTNPC1HSP90AA1
SCHEMBL6085962 0.77 KDM4C (0.47) KMT2ANPC1HSP90AA1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544821-B1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER (US) 1995-01-11 EP claimed
US-5290788-A Indole derivatives as antiallergy and antiinflammatory agents PFIZER INC. (US) 1994-03-01 US claimed
EP-0544821-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS. PFIZER (US) 1993-06-09 EP claimed
WO-1992006088-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1992-04-16 WO claimed
EP-0544821-B1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER (US) 1995-01-11 EP disclosed
US-5290788-A Indole derivatives as antiallergy and antiinflammatory agents PFIZER INC. (US) 1994-03-01 US disclosed
EP-0544821-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS. PFIZER (US) 1993-06-09 EP disclosed
WO-1992006088-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1992-04-16 WO disclosed