SCHEMBL5822581

SCHEMBL5822581

Clc1ccccc1-c1nccn1C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ P2RX7 Q99572 1/20 0.38
▸ CYP19A1 P11511 4/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KCNA5 P22460 1/20 0.37
▸ CCNE2 O96020 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CYP2A6 P11509 1/20 0.36
▸ MC4R P32245 1/20 0.36
▸ DPP4 P27487 1/20 0.36

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
SCHEMBL1606039 0.76 CYP17A1 (0.53) ALDH1A1CYP19A1HPGD
SCHEMBL27914051 0.71 HSD11B1 (0.56) HSD11B1ALDH1A1LMNANPC1RAB9A
SCHEMBL11647215 0.66 HSD17B10 (0.48) HSD11B1ALDH1A1KDM4EP2RX7
SCHEMBL8865912 0.66 CYP19A1 (0.40) ALDH1A1KDM4EP2RX7CYP19A1HPGD
SCHEMBL11330557 0.66 CYP19A1 (0.40) ALDH1A1KDM4EP2RX7CYP19A1HPGD
SCHEMBL11335494 0.66 CYP19A1 (0.40) ALDH1A1LMNAKDM4ECYP19A1
SCHEMBL11335498 0.66 MGLL (0.38) ALDH1A1LMNAKDM4ECYP19A1HPGD
SCHEMBL11465836 0.65 CYP19A1 (0.35) ALDH1A1KDM4ECYP19A1HPGD
SCHEMBL11475074 0.65 CYP26A1 (0.45) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL10455607 0.65 CYP19A1 (0.64) ALDH1A1CYP19A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005051871-A9 IMPLANTABLE SENSORS AND IMPLANTABLE PUMPS AND ANTI-SCARRING AGENTS ANGIOTECH INT AG (CH) 2006-07-27 — — WO disclosed
WO-2006055008-A2 IMPLANTABLE SENSORS AND IMPLANTABLE PUMPS AND ANTI-SCARRING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2006-05-26 — — WO disclosed
WO-2005046516-A2 MEDICAL IMPLANTS AND ANTI-SCARRING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2005-05-26 — — WO disclosed
US-4243670-A MICROBORICIDES; FUNGICIDES; SPORICIDES; HYGIENE BAYER AKTIENGESELLSCHAFT (DE) 1981-01-06 — — US disclosed
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