SCHEMBL29794847

SCHEMBL29794847

N#Cc1cccc(-n2cnc(C(=O)O)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.54
USP30 Q70CQ3 3/20 0.53
NOTUM Q6P988 3/20 0.47
TP53 P04637 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 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
SCHEMBL20594437 1.00 GRM5 (0.54) GRM5USP30NOTUMTP53SMN1; SMN2
SCHEMBL30309900 0.84 NOTUM (0.58) GRM5USP30NOTUMTP53SMN1; SMN2
SCHEMBL20594696 0.84 NOTUM (0.58) GRM5USP30NOTUMTP53SMN1; SMN2
SCHEMBL15464739 0.82 ACKR3 (0.47) USP30NOTUMTP53SMN1; SMN2MAPT
SCHEMBL29614947 0.80 GRM5 (0.59) GRM5USP30NOTUM
SCHEMBL20051584 0.80 GRM5 (0.59) GRM5USP30NOTUM
SCHEMBL15019823 0.80 MAPT (0.50) NOTUMTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL3529890 0.78 SMN1; SMN2 (0.57) USP30TP53SMN1; SMN2MAPTALDH1A1
SCHEMBL15019741 0.78 SMN1; SMN2 (0.45) NOTUMTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL15019455 0.78 TP53 (0.52) NOTUMTP53SMN1; SMN2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110831936-B Substituted cyanopyrrolidines with DUB inhibitor activity 特殊治疗有限公司 2023-03-28 CN disclosed
EP-3642196-B1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS DUB INHIBITORS MISSION THERAPEUTICS LTD (GB) 2022-08-17 EP disclosed