SCHEMBL10673299

SCHEMBL10673299

CNC(=O)N(C)c1nnc(SCc2cccnc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
CCNE2 O96020 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
KMT2A Q03164 7/20 0.44
POLB P06746 5/20 0.44
MEN1 O00255 2/20 0.42
FFAR1 O14842 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 4/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 2/20 0.41
NPC1 O15118 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
Hydrochloric Acid SCHEMBL10670846 0.99 SMN1; SMN2 (0.47) SMN1; SMN2CCNE2CCNE1CDK2KMT2A
SCHEMBL11439476 0.87 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AMEN1FFAR1MAPK1
SCHEMBL10821285 0.81 ALDH1A1 (0.42) SMN1; SMN2KMT2AMEN1FFAR1MAPK1
SCHEMBL11001583 0.81 ABL1 (0.54) SMN1; SMN2KMT2AMEN1ALDH1A1HTT
SCHEMBL10996550 0.81 MAPT (0.53) SMN1; SMN2KMT2APOLBMEN1FFAR1
SCHEMBL11002227 0.81 RAB9A (0.57) SMN1; SMN2KMT2APOLBMEN1FFAR1
SCHEMBL10821379 0.81 CYP3A4 (0.42) SMN1; SMN2HSD17B10TSHRALDH1A1HTT
SCHEMBL10999271 0.81 MEN1 (0.57) SMN1; SMN2KMT2AMEN1MAPK1TSHR
SCHEMBL10999740 0.79 PTPN1 (0.48) SMN1; SMN2KMT2AMEN1ALDH1A1HTT
SCHEMBL10999503 0.79 PTPN1 (0.48) SMN1; SMN2KMT2APOLBMEN1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4775408-A POSTEMERGENTLY APPLYING TO CROPS; PLANT GROWTH REGULATORS UNIROYAL CHEMICAL COMPANY, INC. (US) 1988-10-04 US disclosed