SCHEMBL16613635

SCHEMBL16613635

c1ccc(-n2ccc3c(-c4ccccn4)nc(-n4c5ccccc5c5c6ccccc6ccc54)nc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.32
AHR P35869 1/20 0.32
TGFBR1 P36897 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 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
SCHEMBL16613366 0.90 MCL1 (0.38) MCL1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL16613632 0.86 KDM4E (0.33) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL16613538 0.85 ALDH1A1 (0.32) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL16613494 0.85 ALDH1A1 (0.31) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL16613521 0.83 NPY5R (0.40) MCL1TGFBR1KDM4EALDH1A1MAPT
SCHEMBL16613661 0.83
SCHEMBL16613495 0.83
SCHEMBL16613634 0.83 RXFP1 (0.31)
SCHEMBL16613464 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL16613264 0.82 MCL1 (0.38) MCL1KDM4E

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