SCHEMBL16613362

SCHEMBL16613362

c1cc(-c2ccc3ccccc3c2)cc(-c2nc(-n3c4ccccc4c4c5ccccc5ccc43)nc3cscc23)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
NQO2 P16083 1/20 0.31
ALDH1A1 P00352 2/20 0.30

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
SCHEMBL16613455 0.90 NQO2 (0.31) NQO2ALDH1A1MAPTHPGDNPC1
SCHEMBL16613482 0.89 ALDH1A1 (0.34) NQO2ALDH1A1MAPTHPGDLMNA
SCHEMBL16613542 0.89 ALDH1A1 (0.38) NQO2ALDH1A1MAPTHPGDLMNA
SCHEMBL16613360 0.88 ALDH1A1 (0.39) NQO2ALDH1A1MAPTHPGDLMNA
SCHEMBL16613543 0.86 FLT3 (0.32) NQO2ALDH1A1MAPTHPGDKDM4E
SCHEMBL16613386 0.85 TUBB4A (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23471972 0.83 HPGD (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16613361 0.83 ALDH1A1 (0.32) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL24104204 0.83 ALDH1A1 (0.43) ALDH1A1MAPTHPGDNPC1LMNA
SCHEMBL17286923 0.83 ALDH1A1 (0.43) ALDH1A1MAPTHPGDNPC1LMNA

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
WO-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed