SCHEMBL24258501

SCHEMBL24258501

C=C(NC)N1CCCc2c(cc(-c3ccccc3C)cc2OC)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 4/20 0.53
ABCB1 P08183 1/20 0.40
GAA P10253 2/20 0.39
SMYD2 Q9NRG4 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34

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
SCHEMBL19657916 0.85 CREBBP (0.45) CREBBPABCB1SMYD2TAS1R3TAS1R1
SCHEMBL19657383 0.85 CREBBP (0.45) CREBBPABCB1GAASMYD2
SCHEMBL19657776 0.84 CREBBP (0.44) CREBBPABCB1SMYD2MEN1KMT2A
SCHEMBL19657381 0.84 CREBBP (0.56) CREBBPABCB1SMYD2
SCHEMBL19657387 0.83 CREBBP (0.54) CREBBPSMYD2
SCHEMBL19657755 0.73 CREBBP (0.78) CREBBPABCB1SMYD2MEN1KMT2A
SCHEMBL24258514 0.70 CREBBP (0.36) CREBBPABCB1GAAMEN1KMT2A
SCHEMBL19644381 0.69 CREBBP (1.00) CREBBP
SCHEMBL19657828 0.68 CREBBP (0.36) CREBBPABCB1GAASMYD2
SCHEMBL19657386 0.68 CREBBP (0.36) CREBBPABCB1SMYD2

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-3464270-B1 HETEROCYCLIC INHIBITORS OF CBP/EP300 AND THEIR USE IN THE TREATMENT OF CANCER GENENTECH INC (US) 2022-02-23 EP disclosed