SCHEMBL8137244

SCHEMBL8137244

NCCCn1nc(-c2ccc(Cl)c(Cl)c2Cl)c2cnccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
CAMK2D Q13557 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
CSNK1G2 P78368 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34
TDP1 Q9NUW8 4/20 0.33
RPS6KA5 O75582 2/20 0.33
BRAF P15056 1/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
ESR1 P03372 1/20 0.32
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TP53 P04637 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
SCHEMBL9303598 0.93 P2RX7 (0.36) P2RX7CSNK1A1CSNK1DCSNK1ECSNK1G2
Fumaric Acid SCHEMBL8138796 0.91 KDM4E (0.34) P2RX7CAMK2DCSNK1A1CSNK1DCSNK1E
Fumaric Acid SCHEMBL8138799 0.91 KDM4E (0.34) P2RX7CAMK2DCSNK1A1CSNK1DCSNK1E
SCHEMBL9305694 0.89 TDP1 (0.37) P2RX7CAMK2DTDP1ESR1
SCHEMBL9305284 0.85 CRHR1 (0.37)
SCHEMBL9304250 0.84 TDP1 (0.41) CAMK2DTDP1MAOAMAOBACHE
Fumaric Acid SCHEMBL8142605 0.84 CSNK1A1 (0.32) P2RX7CSNK1A1CSNK1DCSNK1ECSNK1G2
Fumaric Acid SCHEMBL8142601 0.84 CSNK1A1 (0.32) P2RX7CSNK1A1CSNK1DCSNK1ECSNK1G2
SCHEMBL9304005 0.82 P2RX7 (0.38) P2RX7MAPK1MAOACYP2D6
SCHEMBL8134789 0.81 CRHR1 (0.37) RPS6KA5HASPIN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594001-B1 Pyrazolo 4,3-c pyridines, a process for their preparation and their use as serotonin reuptake inhibitors AVENTIS PHARMA INC (US) 2000-08-16 EP claimed
EP-0594001-A1 Pyrazolo 4,3-c pyridines, a process for their preparation and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-04-27 EP claimed
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