SCHEMBL9304250

SCHEMBL9304250

NCCCn1nc(-c2ccccc2Cl)c2cnccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.41
CDC7 O00311 1/20 0.40
CDK2 P24941 1/20 0.40
CAMK2D Q13557 1/20 0.39
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
DPP4 P27487 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MERTK Q12866 4/20 0.35
TOP2A P11388 1/20 0.35
PAK1 Q13153 1/20 0.34
KISS1R Q969F8 1/20 0.34
KCNA5 P22460 1/20 0.34

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
SCHEMBL8134219 0.93 CDC7 (0.41) TDP1CDC7CDK2MAOAMAOB
SCHEMBL9305694 0.91 TDP1 (0.37) TDP1CDC7CDK2CAMK2DTOP2A
SCHEMBL9305829 0.86 TDP1 (0.41) TDP1CAMK2DMAOAMAOBACHE
SCHEMBL9305235 0.86 TOP2A (0.38) TDP1CAMK2DMAOAMAOBACHE
SCHEMBL9305284 0.86 CRHR1 (0.37) DPP4
SCHEMBL9304149 0.85 TDP1 (0.41) TDP1CAMK2DMAOAMAOBDPP4
SCHEMBL9302920 0.85 TDP1 (0.41) TDP1CAMK2DMAOAMAOBACHE
SCHEMBL9303981 0.85 CYP2D6 (0.52) TDP1KDM4E
SCHEMBL8137244 0.84 P2RX7 (0.34) TDP1CAMK2DMAOAMAOBACHE
Hydrochloric Acid SCHEMBL8142483 0.84 TDP1 (0.42) TDP1CAMK2DMAOAMAOBACHE

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