SCHEMBL9305300

SCHEMBL9305300

CNCCn1nc(-c2ccccc2Br)c2cnccc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
ACHE P22303 1/20 0.34
BUB1 O43683 2/20 0.34
NAMPT P43490 3/20 0.33
KDM4C Q9H3R0 2/20 0.33
CYP2D6 P10635 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
GLS O94925 1/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
BRAF P15056 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
Oxalic Acid SCHEMBL8137163 0.87 KDM4E (0.39) NAMPTKDM4CCYP2D6KDM4ETSHR
SCHEMBL9305230 0.84 MAOA (0.36) MAOAMAOBACHEBUB1KDM4C
SCHEMBL9303643 0.83 CYP2D6 (0.45) MAOAMAOBACHEBUB1CYP2D6
Hydrochloric Acid SCHEMBL8138778 0.83 TDP1 (0.36) MAOAMAOBACHEBUB1NAMPT
SCHEMBL9302920 0.82 TDP1 (0.41) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL8138731 0.81 NAMPT (0.39) NAMPTCYP2D6TAAR1CARM1PRMT6
SCHEMBL9304696 0.81 CYP2D6 (0.52) KDM4CCYP2D6KDM4E
Hydrochloric Acid SCHEMBL8134106 0.81 CYP2D6 (0.44) MAOAMAOBACHEBUB1KDM4C
Hydrochloric Acid SCHEMBL8142483 0.81 TDP1 (0.42) MAOAMAOBACHECYP2D6KDM4E
Hydrochloric Acid SCHEMBL8137559 0.80 CYP2D6 (0.50) KDM4CCYP2D6KDM4E

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-5296491-A Pyrazolo[4,3-c]pyridines and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-03-22 US claimed