SCHEMBL7964774

SCHEMBL7964774

N#CCSc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.42
HRH3 Q9Y5N1 2/20 0.41
DAO P14920 2/20 0.41
PDE10A Q9Y233 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL9081050 0.82 HTR1A (0.35) KIF11HRH3DAOPDE10ASLC6A2
SCHEMBL9781893 0.80 DAO (0.44) KIF11HRH3DAOSLC6A2SLC6A4
SCHEMBL11852739 0.80 ALDH1A1 (0.49) KIF11HRH3DRD3CYP1A2CYP3A4
SCHEMBL6816103 0.78 KDM4E (0.48) PDE10ASLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL7952409 0.77 MAOA (0.52) PDE10ACYP1A2CTSKALDH1A1KDM4E
SCHEMBL28367599 0.76 HRH3 (0.46) KIF11HRH3DAOSLC6A2SLC6A4
SCHEMBL2376871 0.74 HRH3 (0.45) KIF11HRH3DAOSLC6A2SLC6A4
SCHEMBL28551761 0.74 HRH3 (0.45) KIF11HRH3DAOSLC6A2SLC6A4
SCHEMBL3833998 0.73 PDE10A (0.41) KIF11PDE10AHTR2AARCTSS
SCHEMBL5178452 0.72 NR1H2 (0.44) CYP3A4CTSKALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225346-B1 FOR THERAPY AND PROPHYLAXIS OF CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS ASSOCIATED WITH PARTICULAR TYROSINE KINASES BY INHIBITING ONE OR MORE ABNORMAL TYROSINE KINASE ACTIVITIES SUGEN, INC. 2001-05-01 US disclosed
US-5935993-A TYROSINE KINASE INHIBITORS; TREATMENT OF CELL GROWTH, CELL DIFFERENTIATION DISORDERS SUGEN, INC. (US) 1999-08-10 US disclosed
US-5891917-A MODULATING TYROSINE SIGNAL TRANSDUCTION TO PREVENT AND TREAT CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS ASSOCIATED WITH PARTICULAR TYROSINE KINASES BY INHIBITING ONE OR MORE ABNORMAL TYROSINE KINASE ACTIVITIES SUGEN, INC. (US) 1999-04-06 US disclosed
WO-1996040629-A1 TYRPHOSTIN-LIKE COMPOUNDS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS SUGEN, INC. (US) 1996-12-19 WO disclosed