SCHEMBL14129689

SCHEMBL14129689

Cc1cnc(C=Cc2ccc(C)nc2)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL14129666 0.82 NFE2L2 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14129688 0.82 NFE2L2 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14129562 0.79 MAPT (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14129670 0.78 GRM5 (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13320184 0.78 PADI4 (0.36) CYP1A2CYP2E1CYP2A6CYP2B6CYP2C19
SCHEMBL935872 0.78 PADI4 (0.36) CYP1A2CYP2E1CYP2A6CYP2B6CYP2C19
SCHEMBL935871 0.78 PADI4 (0.36) CYP1A2CYP2E1CYP2A6CYP2B6CYP2C19
SCHEMBL9000469 0.76 GRM4 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13053141 0.76 CYP11B1 (0.55) CYP1A2CYP2C19NFE2L2KDM4EHDAC6
SCHEMBL4303773 0.75 APLNR (0.43) CYP1A2CYP2E1CYP2A6CYP2B6CYP2C19

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-7393598-B2 Light emitting molecules and organic light emitting devices including light emitting molecules HCF PARTNERS, L.P. (US) 2008-07-01 US disclosed