SCHEMBL8744335

SCHEMBL8744335

[CH2]C(C)Sc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACHE P22303 1/20 0.38
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.37
PTPN1 P18031 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
SERPINH1 P50454 1/20 0.34
TRPA1 O75762 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL1368088 0.82 MEN1 (0.40) GAAMEN1KMT2ACYP1A2CYP2C9
SCHEMBL9912709 0.81 NPC1 (0.40) GAAMEN1KMT2ACYP1A2CYP2C9
SCHEMBL315823 0.80 HSD17B10 (0.48) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL8744320 0.78 HAO1 (0.40) ALDH1A1TSHR
SCHEMBL1453376 0.77 MAOA (0.41) GAASMN1; SMN2PTPN1CDC25ACDC25B
SCHEMBL5388844 0.76 EPHX1 (0.45) ACHEMAOAMAOBTAAR1
SCHEMBL14303350 0.74 SMN1; SMN2 (0.56) GAAMEN1KMT2ANPC1HTT
SCHEMBL5110593 0.73 GAA (0.53) GAAMEN1KMT2ACYP1A2CYP2C9
SCHEMBL2751920 0.73 GAA (0.39) GAAMEN1KMT2ACYP1A2CYP2C9
SCHEMBL28808736 0.71 MEN1 (0.38) GAAMEN1KMT2ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0599906-B1 HERBICIDES CONTAINING 3-AMINOBENZO B]THIOPHENES AS AN ANTIDOTE BASF AG (DE) 1997-01-15 EP disclosed
EP-0552493-B1 Thiochromenone derivatives as antidotes and herbicidal agents containing them BASF AG (DE) 1996-09-11 EP disclosed
US-5491123-A Herbicides containing 3-aminobenzo(B)thiophenes as antidotes BASF AKTIENGESELLSCHAFT (DE) 1996-02-13 US disclosed
US-5378677-A Applying with cyclohexenone derivative BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
EP-0599906-A1 HERBICIDES CONTAINING 3-AMINOBENZO B]THIOPHENES AS AN ANTIDOTE. BASF AG (DE) 1994-06-08 EP disclosed
EP-0552493-A1 Thiochromenone derivatives as antidotes and herbicidal agents containing them BASF Aktiengesellschaft (DE) 1993-07-28 EP disclosed
WO-1993004057-A2 HERBICIDES CONTAINING 3-AMINOBENZO[B]THIOPHENES AS AN ANTIDOTE BASF AKTIENGESELLSCHAFT (DE) 1993-03-04 WO disclosed