SCHEMBL29803229

SCHEMBL29803229

COc1cc(NC(=O)c2ccc(C3=CCNCC3)c(F)c2F)ccc1C1=CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.48
FLT3 P36888 2/20 0.42
MELK Q14680 2/20 0.42
CAMK2G Q13555 1/20 0.42
CAMK2D Q13557 1/20 0.42
MYLK Q15746 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
CCNT1 O60563 5/20 0.42
CDK9 P50750 5/20 0.42
QDPR P09417 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
EHMT2 Q96KQ7 1/20 0.39
EHMT1 Q9H9B1 1/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL29803227 0.87 QDPR (0.48) BRPF1FLT3MELKCAMK2GCAMK2D
SCHEMBL29803689 0.87 BRPF1 (0.47) BRPF1FLT3MELKCAMK2GCAMK2D
SCHEMBL29803524 0.84 CCNT1 (0.49) BRPF1CCNT1CDK9QDPRPOLB
SCHEMBL29803369 0.84 QDPR (0.49) BRPF1FLT3MELKCAMK2GCAMK2D
SCHEMBL29803458 0.84 CCNT1 (0.46) BRPF1CCNT1CDK9QDPRMEN1
SCHEMBL29803604 0.83 QDPR (0.52) BRPF1FLT3MELKCAMK2GCAMK2D
SCHEMBL29803347 0.81 CCNT1 (0.49) BRPF1CCNT1CDK9QDPRPOLB
SCHEMBL29803803 0.80 MAOB (0.50) BRPF1CCNT1CDK9MEN1KMT2A
SCHEMBL24892287 0.80 CCNT1 (0.46) BRPF1MELKCCNT1CDK9QDPR
SCHEMBL24669400 0.79 CCNT1 (0.52) BRPF1CCNT1CDK9MEN1POLB

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