SCHEMBL8763140

SCHEMBL8763140

CC(=O)NC(C(N)=O)C(C)CCc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.43
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ACACA Q13085 2/20 0.38
CYP19A1 P11511 1/20 0.38
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8530395 0.75 ALB (0.46) ACACBTSHRLMNAMAPTALDH1A1
SCHEMBL8530388 0.75 ALB (0.46) ACACBTSHRLMNAMAPTALDH1A1
SCHEMBL8530392 0.75 ALB (0.46) ACACBTSHRLMNAMAPTALDH1A1
SCHEMBL8763145 0.73 KDM4E (0.42) TSHRLMNAMAPTMAPK1ALDH1A1
SCHEMBL13645720 0.73 KMT2A (0.59) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL17783704 0.72 ROCK2 (0.44) ACACBTSHRALDH1A1ACACACYP19A1
SCHEMBL14795607 0.72 LOXL2 (0.45) ALDH1A1CYP19A1MMP12MMP13NPC1
SCHEMBL8121443 0.71 NAMPT (0.45) ACACBTSHRLMNAMAPTMAPK1
Hydrazine SCHEMBL2567860 0.71 LOXL2 (0.48) LMNAMAPTMAPK1ALDH1A1CYP19A1
SCHEMBL18110390 0.70 MMP13 (0.42) ACACBTSHRLMNAMAPTMAPK1

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
EP-0636141-B1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LTD (GB) 1997-06-25 EP disclosed