SCHEMBL14780855

SCHEMBL14780855

ClCOC=Cc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38

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
SCHEMBL17425906 0.79 CYP2C19 (0.38) CYP2C19ALDH1A1KDM4EHPGDRAB9A
SCHEMBL10385527 0.78 MAOB (0.50) ALDH1A1RAB9AMEN1MAPTKMT2A
SCHEMBL8319087 0.75 CYP2C19 (0.45) CYP2C19ALDH1A1KDM4EHPGDRAB9A
SCHEMBL2622600 0.71 APP (0.50) CYP2C19ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5230238 0.71 CYP2C19 (0.42) CYP2C19ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5230246 0.71 CYP2C19 (0.42) CYP2C19ALDH1A1KDM4EHPGDRAB9A
SCHEMBL7132075 0.71 TUBB4A (0.50) CYP2C19ALDH1A1KDM4EHPGDRAB9A
SCHEMBL9268881 0.71 TUBB4A (0.50) CYP2C19ALDH1A1KDM4EHPGDRAB9A
SCHEMBL391122 0.71 ALDH1A1 (0.61) CYP2C19ALDH1A1KDM4EHPGDRAB9A
SCHEMBL1882464 0.71 ALDH1A1 (0.61) CYP2C19ALDH1A1KDM4EHPGDRAB9A

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-8399068-B2 Liquid crystal aligning agent, method of producing a liquid crystal alignment film and liquid crystal display device JSR CORPORATION (JP) 2013-03-19 US disclosed