Sugi Predict

Sugi Predict / Compounds / SCHEMBL24671033

SCHEMBL24671033

SCHEMBL24671033

CC(C)(C)OC(=O)N1CC=C(c2ccc(NC(=O)c3ccc(C4=CCNCC4)c(F)c3)nn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 11/20 0.44
▸ GRM5 P41594 10/20 0.44
▸ JAK1 P23458 1/20 0.43
▸ SCN9A Q15858 1/20 0.41
▸ CDK9 P50750 3/20 0.40
▸ CCNT1 O60563 2/20 0.40
▸ PDK4 Q16654 1/20 0.39
▸ NAMPT P43490 1/20 0.39

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
SCHEMBL24671480 0.94 GRM1 (0.49) GRM1GRM5JAK1SCN9ACDK9
SCHEMBL29803325 0.94 GRM1 (0.49) GRM1GRM5JAK1SCN9ACDK9
SCHEMBL24671483 0.86 JAK1 (0.42) GRM1GRM5JAK1SCN9ACDK9
SCHEMBL29803516 0.84 CCNT1 (0.48) CDK9CCNT1NAMPT
SCHEMBL24671474 0.82 WNT3A (0.45) CDK9CCNT1NAMPT
SCHEMBL29803582 0.82 GRM1 (0.47) GRM1GRM5JAK1SCN9ACDK9
SCHEMBL24671417 0.82 GRM1 (0.47) GRM1GRM5JAK1SCN9ACDK9
SCHEMBL24670319 0.81 GRM1 (0.37) GRM1GRM5JAK1SCN9ACDK9
SCHEMBL24891810 0.80 GRM1 (0.52) GRM1GRM5JAK1SCN9APDK4
SCHEMBL30182402 0.80 GRM1 (0.52) GRM1GRM5JAK1SCN9APDK4

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
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 — — WO disclosed