SCHEMBL9305829

SCHEMBL9305829

NCCCn1nc(-c2ccccc2F)c2cnccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.41
CAMK2D Q13557 1/20 0.40
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
MERTK Q12866 4/20 0.35
DHODH Q02127 1/20 0.35
KISS1R Q969F8 1/20 0.35
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
RPS6KA5 O75582 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
SCHEMBL9305072 0.92 CSNK2A2 (0.40) TDP1MAOAMAOBACHECSNK2A2
SCHEMBL9302920 0.86 TDP1 (0.41) TDP1CAMK2DMAOAMAOBACHE
SCHEMBL9304250 0.86 TDP1 (0.41) TDP1CAMK2DMAOAMAOBACHE
SCHEMBL9304149 0.86 TDP1 (0.41) TDP1CAMK2DMAOAMAOBACHE
Hydrochloric Acid SCHEMBL8142483 0.85 TDP1 (0.42) TDP1CAMK2DMAOAMAOBACHE
SCHEMBL9303821 0.83 PRKCB (0.40) TDP1CAMK2DMERTK
Hydrochloric Acid SCHEMBL8138785 0.83 HSD17B10 (0.50) TDP1CAMK2DMAOAMAOBACHE
SCHEMBL9305694 0.82 TDP1 (0.37) TDP1CAMK2D
SCHEMBL9304792 0.81 MAPK13 (0.41) TDP1CAMK2DMAOAMAOBACHE
SCHEMBL8134219 0.79 CDC7 (0.41) TDP1MAOAMAOBACHEMERTK

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