SCHEMBL8325281

SCHEMBL8325281

N#CC(F)Sc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 4/20 0.36
ALDH1A1 P00352 3/20 0.36
ALPG P10696 2/20 0.36
NPSR1 Q6W5P4 2/20 0.34
CYP1A2 P05177 2/20 0.34
SERPINH1 P50454 1/20 0.33
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL31230159 0.82 MAOA (0.43) MAOAMAOBSMN1; SMN2HTTNPC1
SCHEMBL12436757 0.80 MAOA (0.45) MAOAMAOBHTTNPC1RAB9A
SCHEMBL14303350 0.75 SMN1; SMN2 (0.56) SMN1; SMN2HTTNPC1RAB9ALMNA
SCHEMBL9912709 0.72 NPC1 (0.40) MAOAMAOBSMN1; SMN2HTTNPC1
SCHEMBL7958219 0.71 LMNA (0.47) SMN1; SMN2HTTLMNAALDH1A1ALPG
SCHEMBL469852 0.69 ALDH1A1 (0.52) MAOAMAOBALDH1A1NPSR1CYP1A2
SCHEMBL1368088 0.69 MEN1 (0.40) MAOAMAOBSMN1; SMN2HTTNPC1
SCHEMBL8744335 0.67 GAA (0.39) MAOAMAOBSMN1; SMN2HTTNPC1
SCHEMBL3838110 0.66 TSHR (0.39) RAB9ANPSR1HPGDKMT2AATM
SCHEMBL7952407 0.65 LMNA (0.46) SMN1; SMN2HTTLMNAALDH1A1ALPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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