SCHEMBL11655282

SCHEMBL11655282

CCCCCCCc1ccc(C=C(C#N)c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.56
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52
TUBA1A Q71U36 1/20 0.52
TUBA1C Q9BQE3 1/20 0.52
TUBB6 Q9BUF5 1/20 0.52
TUBB2B Q9BVA1 1/20 0.52
TUBB1 Q9H4B7 1/20 0.52
NQO1 P15559 1/20 0.52
KDM4E B2RXH2 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50

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
SCHEMBL11662496 1.00 NQO2 (0.56) NQO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11340302 0.99 NQO2 (0.58) NQO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11340301 0.99 NQO2 (0.58) NQO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL248335 0.91 ESR1 (0.53) KDM4EALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL11599029 0.90 ALDH1A1 (0.51) NQO2KDM4EALDH1A1HPGDCYP3A4
SCHEMBL11599034 0.90 ALDH1A1 (0.51) NQO2KDM4EALDH1A1HPGDCYP3A4
SCHEMBL11659950 0.90 ALDH1A1 (0.51) NQO2KDM4EALDH1A1HPGDCYP3A4
SCHEMBL13931502 0.90 NQO2 (0.62) NQO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11659686 0.89 LMNA (0.50) NQO2KDM4ENPC1RAB9AMAPT
SCHEMBL11659236 0.86 NQO2 (0.58) NQO2TUBB4ATUBBTUBA3CTUBA1B

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-4107189-A 2,3-DIPHENYLACRYLONITRILES, DYNAMIC SCATTERING IN ELECTRICAL FIELD U.S. PHILIPS CORPORATION (US) 1978-08-15 US claimed