SCHEMBL8086596

SCHEMBL8086596

Cc1cc(C)cc(Sc2c(N)c(=O)[nH]c3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TUBB4A P04350 7/20 0.44
TUBB P07437 7/20 0.44
TUBA3C P0DPH7 7/20 0.44
TUBA1B P68363 7/20 0.44
TUBA4A P68366 7/20 0.44
TUBB4B P68371 7/20 0.44
TUBB3 Q13509 7/20 0.44
TUBB2A Q13885 7/20 0.44
TUBB8 Q3ZCM7 7/20 0.44
TUBA3E Q6PEY2 7/20 0.44
TUBA1A Q71U36 7/20 0.44
TUBA1C Q9BQE3 7/20 0.44
TUBB6 Q9BUF5 7/20 0.44
TUBB2B Q9BVA1 7/20 0.44
TUBB1 Q9H4B7 7/20 0.44
CYP1A2 P05177 3/20 0.44
TNKS2 Q9H2K2 2/20 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
SCHEMBL7145066 0.79 GRIN2D (0.52) KDM4EALDH1A1SMN1; SMN2TUBB4ATUBB
SCHEMBL13847310 0.72 DAO (0.62) KDM4EALDH1A1SMN1; SMN2CYP1A2TNKS2
SCHEMBL7010909 0.70 PDE3B (0.35) SMN1; SMN2HSD17B10MAPT
SCHEMBL6343134 0.69 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2CYP1A2TNKS2
SCHEMBL7812029 0.69 DAO (0.54) KDM4EALDH1A1SMN1; SMN2CYP1A2TNKS2
SCHEMBL7007761 0.69 MCL1 (0.33) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL7013173 0.66 TYMS (0.32) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9715631 0.65 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2CYP1A2TNKS2
SCHEMBL30623756 0.65 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2CYP1A2TNKS2
SCHEMBL18464567 0.65 PDE9A (0.68) KDM4EALDH1A1SMN1; SMN2PDGFRBFGFR1

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-6015820-A VIRICIDES; AIDS TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-01-18 US disclosed