SCHEMBL29395103

SCHEMBL29395103

CC(Sc1nc2ccccc2s1)C(=O)NN

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.64
ALDH1A1 P00352 10/20 0.58
MAPT P10636 3/20 0.58
HTT P42858 4/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
POLB P06746 2/20 0.57
HPGD P15428 3/20 0.55
MAPK1 P28482 2/20 0.55
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CASP1 P29466 1/20 0.50
USP2 O75604 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL28936671 1.00 LMNA (0.64) LMNAALDH1A1MAPTHTTKMT2A
SCHEMBL9624674 0.85 ALDH1A1 (0.52) LMNAALDH1A1MAPTHTTPOLB
SCHEMBL10643688 0.85 LMNA (0.60) LMNAALDH1A1MAPTHTTKMT2A
SCHEMBL718296 0.83 PPARA (0.67) LMNAALDH1A1MAPTHTTKMT2A
SCHEMBL10643889 0.78 TSHR (0.60) LMNAALDH1A1MAPTHTTKMT2A
SCHEMBL14155832 0.78 POLB (0.60) LMNAALDH1A1MAPTHTTKMT2A
SCHEMBL10927242 0.76 ALDH1A1 (0.63) LMNAALDH1A1MAPTPOLBHPGD
SCHEMBL15604436 0.76 LMNA (0.58) LMNAALDH1A1MAPTHTTKMT2A
SCHEMBL10643676 0.76 POLB (0.54) LMNAALDH1A1MAPTHTTKMT2A
SCHEMBL10760510 0.75 POLB (0.57) LMNAALDH1A1MAPTHTTKMT2A

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
CN-110447997-B Cool and comfortable fabric 江苏大毛牛新材料有限公司 2022-02-25 CN disclosed