SCHEMBL24993422

SCHEMBL24993422

COc1cccc(-c2csc(NC(=O)CN3CCN(c4ccc(C)cc4)CC3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.67
ALDH1A1 P00352 7/20 0.67
MAPT P10636 6/20 0.67
LMNA P02545 5/20 0.67
HTT P42858 4/20 0.66
MMP2 P08253 1/20 0.59
MMP8 P22894 1/20 0.59
USP2 O75604 2/20 0.59
TSHR P16473 1/20 0.59
RECQL P46063 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
KDR P35968 2/20 0.58
POLB P06746 2/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.56

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
SCHEMBL30173489 1.00 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL15401066 0.87 KDR (0.74) SMN1; SMN2MAPTLMNAHTTMMP2
SCHEMBL15401573 0.87 MMP2 (0.76) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL24993423 0.81 ACHE (0.76) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL16458931 0.81 MMP2 (0.86) SMN1; SMN2LMNAHTTMMP2MMP8
SCHEMBL30772149 0.80 ACHE (0.66) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL15403403 0.78 ACHE (0.74) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL30292503 0.78 CYP1A1 (0.66) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL24107596 0.78 CYP1A1 (0.66) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL2753589 0.78 RAB9A (0.71) SMN1; SMN2ALDH1A1MAPTLMNAHTT

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
CN-115944635-A Application of aminothiazole derivative in preparing medicine for treating immune inflammation 宁波亿诺药业有限公司 2023-04-11 CN claimed
CN-115944635-A Application of aminothiazole derivative in preparing medicine for treating immune inflammation 宁波亿诺药业有限公司 2023-04-11 CN disclosed
WO-2023011609-A1 USE OF AMINOTHIAZOLE DERIVATIVE IN PREPARATION OF IMMUNOLOGICAL INFLAMMATORY DRUG 宁波亿诺药业有限公司 2023-02-09 WO disclosed