SCHEMBL6983302

SCHEMBL6983302

Cc1ccc(NC(N)=S)cc1.N#C[Na]

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
HPGD P15428 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX12 P18054 1/20 0.48
TP53 P04637 1/20 0.48
TYR P14679 1/20 0.48
TSHR P16473 1/20 0.48
TAS2R38 P59533 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KIF11 P52732 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL1278440 0.88 ALDH1A1 (0.61) ALDH1A1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL10882395 0.86 ALDH1A1 (0.59) ALDH1A1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL6982143 0.81 MAPT (0.52) ALDH1A1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL6979345 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL6594446 0.80 CYP1A2 (0.81) ALDH1A1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL28102705 0.79 ALDH1A1 (0.52) ALDH1A1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL20536981 0.78 ALDH1A1 (0.81) ALDH1A1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL725810 0.77 ALDH1A1 (0.75) ALDH1A1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL1884691 0.75 IDO1 (0.67) ALDH1A1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL9725052 0.74 KMT2A (0.53) ALDH1A1KMT2AGAAMAPTSMN1; SMN2

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-1228058-A4 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-02-12 EP disclosed
EP-1228058-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2002-08-07 EP disclosed
WO-2001029023-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-04-26 WO disclosed