SCHEMBL24670925

SCHEMBL24670925

CC(C)NC(=O)c1cc(F)c(C2=CCNCC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.41
CDK9 P50750 6/20 0.41
WDR5 P61964 2/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
BRPF1 P55201 1/20 0.38
PRMT5 O14744 3/20 0.36
HTR6 P50406 2/20 0.36
ALPL P05186 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL24670266 0.82 CCNT1 (0.52) CCNT1CDK9ROCK1BRPF1PRMT5
SCHEMBL24670935 0.81 CCNT1 (0.39) CCNT1CDK9BRPF1PRMT5HTR6
Hydrochloric Acid SCHEMBL9731541 0.80 LMNA (0.46) CCNT1CDK9WDR5HTR6
SCHEMBL29803689 0.77 BRPF1 (0.47) CCNT1CDK9WDR5BRPF1CD274
SCHEMBL24670907 0.74 CCNT1 (0.38) CCNT1CDK9PRMT5HTR6CD274
SCHEMBL29803489 0.74 WDR5 (0.47) CCNT1CDK9WDR5BRPF1HTR6
SCHEMBL24669407 0.74 WDR5 (0.47) CCNT1CDK9WDR5BRPF1HTR6
SCHEMBL24670321 0.73 QDPR (0.47) CCNT1CDK9ROCK2ROCK1HTR6
SCHEMBL24671346 0.72 PDE3B (0.45) CCNT1CDK9WDR5ROCK2ROCK1
SCHEMBL13761352 0.72 MAPT (0.49) ROCK2ROCK1ALPL

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