SCHEMBL9302920

SCHEMBL9302920

NCCCn1nc(-c2ccccc2Br)c2cnccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.41
CAMK2D Q13557 3/20 0.39
MAOA P21397 4/20 0.37
MAOB P27338 4/20 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 3/20 0.35
KISS1R Q969F8 1/20 0.34
RPS6KA5 O75582 1/20 0.34
CYP2D6 P10635 1/20 0.33
SYK P43405 1/20 0.33

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
Hydrochloric Acid SCHEMBL8142483 0.99 TDP1 (0.42) TDP1CAMK2DMAOAMAOBACHE
SCHEMBL9305230 0.93 MAOA (0.36) TDP1CAMK2DMAOAMAOBACHE
Hydrochloric Acid SCHEMBL8138778 0.91 TDP1 (0.36) TDP1CAMK2DMAOAMAOBACHE
SCHEMBL9305829 0.86 TDP1 (0.41) TDP1CAMK2DMAOAMAOBACHE
SCHEMBL9304149 0.85 TDP1 (0.41) TDP1CAMK2DMAOAMAOBACHE
SCHEMBL9304250 0.85 TDP1 (0.41) TDP1CAMK2DMAOAMAOBACHE
SCHEMBL9304696 0.85 CYP2D6 (0.52) TDP1KDM4ERPS6KA5CYP2D6
Hydrochloric Acid SCHEMBL8137559 0.83 CYP2D6 (0.50) TDP1KDM4ERPS6KA5CYP2D6
Hydrochloric Acid SCHEMBL8137553 0.83 CYP2D6 (0.50) TDP1KDM4ERPS6KA5CYP2D6
SCHEMBL9303821 0.82 PRKCB (0.40) TDP1CAMK2DMERTKCYP2D6

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