SCHEMBL11328355

SCHEMBL11328355

O=Cc1c(-c2ccccn2)nn2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.40
TGFBR2 P37173 4/20 0.40
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
METAP1 P53582 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
DOHH Q9BU89 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
ADORA1 P30542 2/20 0.35

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
SCHEMBL30997264 0.81 MAPT (0.39) LMNAKDM4ECYP1A2POLBCCR1
SCHEMBL30997271 0.81 MAPK14 (0.39) TGFBR1LMNAKDM4ECYP1A2POLB
SCHEMBL8811759 0.78 ADORA2A (0.45) LMNAADORA1EGFRRAF1ADORA3
SCHEMBL9197465 0.78 MAPK14 (0.55) KDM4ECYP1A2HIF1AADORA1EGFR
SCHEMBL5234207 0.77 TGFBR1 (0.42) TGFBR1TGFBR2BRD4BRD2BRD3
SCHEMBL5231551 0.75 BRD4 (0.44) TGFBR1TGFBR2BRD4BRD2BRD3
SCHEMBL30997285 0.74 SMN1; SMN2 (0.44) CYP1A2ADORA1EGFRRAF1ADORA3
SCHEMBL13382196 0.74 BAZ2B (0.52) TGFBR1TGFBR2BRD4BRD2BRD3
SCHEMBL30998711 0.73 PIK3CG (0.40) TGFBR1TGFBR2BRD4BRD2BRD3
SCHEMBL5586475 0.73 KDM4E (0.43) TGFBR1TGFBR2BRD4BRD2BRD3

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-4259439-A DIMETHINECYANINE DYE SENSITIZER MITSUBISHI PAPER MILLS, LTD. (JP) 1981-03-31 US disclosed