SCHEMBL30836089

SCHEMBL30836089

Oc1ccc2c(O)ccnc2n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPKAPK2 P49137 1/20 0.31

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
SCHEMBL2026652 1.00 CYP1A2 (0.32) CYP1A2CYP2D6CYP2C9ALOX15CASP1
SCHEMBL17172512 0.79 CCR1 (0.48) CYP1A2KDM4E
SCHEMBL2025555 0.79 KMT2A (0.44) CYP2D6CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL11564694 0.79 NCF1 (0.37) KDM4E
Hydrochloric Acid SCHEMBL11567075 0.78 KMT2A (0.43) CYP2D6CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL11567724 0.78 KMT2A (0.43) CYP2D6CYP2C9ALOX15HSD17B10KDM4E
Hydrochloric Acid SCHEMBL11567780 0.78 KMT2A (0.43) CYP2D6CYP2C9ALOX15HSD17B10KDM4E
Hydrochloric Acid SCHEMBL11568340 0.78 KMT2A (0.43) CYP2D6CYP2C9ALOX15HSD17B10KDM4E
Hydrochloric Acid SCHEMBL11566738 0.78 KMT2A (0.43) CYP2D6CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL2018134 0.76 CYP1A2 (0.35) CYP1A2KDM4E

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
CN-117683212-A Polymer and ink, optoelectronic device and electronic device 广东聚华印刷显示技术有限公司 2024-03-12 CN disclosed