SCHEMBL13429892

SCHEMBL13429892

Sc1ccc(/C=C/c2ccc(Br)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44

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
SCHEMBL46589 0.86 ALDH1A1 (0.61) CYP2C19KDM4EALDH1A1HPGDRAB9A
SCHEMBL2577998 0.86 ALDH1A1 (0.61) CYP2C19KDM4EALDH1A1HPGDRAB9A
SCHEMBL9679616 0.86 ALDH1A1 (0.61) CYP2C19KDM4EALDH1A1HPGDRAB9A
SCHEMBL2577996 0.86 ALDH1A1 (0.61) CYP2C19KDM4EALDH1A1HPGDRAB9A
SCHEMBL1882464 0.86 ALDH1A1 (0.61) CYP2C19KDM4EALDH1A1HPGDRAB9A
SCHEMBL391121 0.86 ALDH1A1 (0.61) CYP2C19KDM4EALDH1A1HPGDRAB9A
SCHEMBL391122 0.86 ALDH1A1 (0.61) CYP2C19KDM4EALDH1A1HPGDRAB9A
SCHEMBL9679607 0.86 ALDH1A1 (0.61) CYP2C19KDM4EALDH1A1HPGDRAB9A
SCHEMBL3373054 0.86 ALDH1A1 (0.61) CYP2C19KDM4EALDH1A1HPGDRAB9A
SCHEMBL9680702 0.86 IDO1 (0.42) CYP2C19KDM4EALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069603-A1 METHOD FOR PRODUCING STRUCTURE WHEREIN AROMATIC POLYMER IS BONDED TO BASE, STRUCTURE HAVING AROMATIC POLYMER CHAIN BONDED TO CONDUCTIVE BASE, AND ELECTRONIC DEVICE COMPRISING THE STRUCTURE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20100069603-A1 METHOD FOR PRODUCING STRUCTURE WHEREIN AROMATIC POLYMER IS BONDED TO BASE, STRUCTURE HAVING AROMATIC POLYMER CHAIN BONDED TO CONDUCTIVE BASE, AND ELECTRONIC DEVICE COMPRISING THE STRUCTURE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed