SCHEMBL8423762

SCHEMBL8423762

N=C1SC(Cl)CN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HTR2C P28335 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR1D P28221 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 3/20 0.40
NOTUM Q6P988 2/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DHFR P00374 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL8424348 0.83 ALDH1A1 (0.42) ALDH1A1HTR2CHTR3EHTR3BHTR1D
SCHEMBL8428299 0.83 ALDH1A1 (0.42) ALDH1A1HTR2CHTR3EHTR3BHTR1D
Hydrochloric Acid SCHEMBL8425578 0.82 MAPT (0.43) ALDH1A1HTR2CHTR3EHTR3BHTR1D
SCHEMBL8010813 0.80 ALDH1A1 (0.40) ALDH1A1HTR2CHTR3EHTR3BHTR1D
SCHEMBL9064671 0.78 ALDH1A1 (0.38) ALDH1A1HTR2CHTR3EHTR3BHTR1D
SCHEMBL14369671 0.75 ALDH1A1 (0.47) ALDH1A1HTR2CHTR3EHTR3BHTR1D
SCHEMBL8424321 0.74 NOTUM (0.41) ALDH1A1NOTUMLMNASMN1; SMN2MEN1
SCHEMBL8425467 0.74 NOTUM (0.41) ALDH1A1NOTUMLMNASMN1; SMN2MEN1
SCHEMBL8423614 0.73 NOTUM (0.40) ALDH1A1NOTUMLMNASMN1; SMN2MEN1
SCHEMBL8428186 0.73 NOTUM (0.40) ALDH1A1NOTUMLMNASMN1; SMN2MEN1

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-0636616-B1 Process for production of fluoroalkanecarboxamide derivatives SUMITOMO CHEMICAL CO (JP) 1999-10-27 EP disclosed
US-5484933-A Process for production of fluoroalkane carboxamide derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-01-16 US disclosed
EP-0636616-A1 Process for production of fluoroalkanecarboxamide derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-01 EP disclosed