SCHEMBL23770820

SCHEMBL23770820

Cc1cccc(C)c1-c1nc(N[S+]([O-])c2cccc(N3CCNC(=O)C3)n2)ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND3 P30281 1/20 0.35
CDK9 P50750 1/20 0.35
CDK6 Q00534 1/20 0.35
PIM1 P11309 3/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
SMO Q99835 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL23770807 0.81 PIM1 (0.34) PIM1PIM3PIM2
SCHEMBL19925062 0.80 CCNT1 (0.36) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL23770818 0.79
SCHEMBL23770441 0.73 HTR3E (0.43)
SCHEMBL23770622 0.71 CTSL (0.36) PIM1
SCHEMBL2130475 0.67 ALOX5 (0.57) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL19925230 0.67 HTR3E (0.42) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL23770450 0.66 HTR3E (0.43) CCNT1CDK4CCND1CCND3CDK9
Hydrochloric Acid SCHEMBL19951396 0.66 HTR3E (0.41) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL23770449 0.66 NPC1 (0.33)

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-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP disclosed