SCHEMBL9129183

SCHEMBL9129183

O=C1c2cc(Br)ccc2COc2ccc(Br)cc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
ALDH1A1 P00352 4/20 0.58
RAB9A P51151 2/20 0.58
APP P05067 12/20 0.57
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 1/20 0.44
CYP19A1 P11511 1/20 0.43

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
SCHEMBL3142640 0.90 MAPT (0.72) MAPTALDH1A1RAB9AAPPTDP1
SCHEMBL7246016 0.89 TDP1 (0.64) MAPTALDH1A1RAB9AAPPTDP1
SCHEMBL13382951 0.87 ALDH1A1 (0.71) MAPTALDH1A1RAB9AAPPTDP1
SCHEMBL10920582 0.86 TDP1 (0.49) MAPTALDH1A1RAB9AAPPTDP1
SCHEMBL31123572 0.86 TDP1 (0.49) MAPTALDH1A1RAB9AAPPTDP1
SCHEMBL31123574 0.82 APP (0.54) MAPTALDH1A1RAB9AAPPTDP1
SCHEMBL7249247 0.82 ALDH1A1 (0.69) MAPTALDH1A1RAB9AAPPTDP1
SCHEMBL7913164 0.79 ALDH1A1 (0.69) MAPTALDH1A1RAB9AAPPTDP1
SCHEMBL3557966 0.79 APP (0.57) MAPTALDH1A1RAB9AAPPTDP1
SCHEMBL22049536 0.79 MAOB (0.57) MAPTALDH1A1RAB9ATDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5395610-A Agents for potentiating the effects of antitumor agents and combating multiple drug resistance BURROUGHS-WELLCOME CO. (US) 1995-03-07 US disclosed
US-5300282-A Agents for potentiating the effects of antitumor agents and combating multiple drug resistance BURROUGHS-WELLCOME COMPANY (US) 1994-04-05 US disclosed
EP-0409406-B1 ARYL-SUBSTITUTED AMINE DERIVATIVES USEFUL IN CANCER THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-08 EP disclosed
EP-0487502-A2 Pharmaceutically active aryl-substituted amine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1992-05-27 EP disclosed
EP-0409406-A2 Aryl-substituted amine derivatives useful in cancer therapy THE WELLCOME FOUNDATION LIMITED (GB) 1991-01-23 EP disclosed
WO-1990015599-A1 MEDICAMENTS USEFUL IN CANCER THERAPY AND HAVING ANTIHISTAMINIC PROPERTIES THE WELLCOME FOUNDATION LIMITED (GB) 1990-12-27 WO disclosed