SCHEMBL24258525

SCHEMBL24258525

O=CN1CCOc2ccc(-c3ccc4[nH]ccc4c3)cc2C1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.62
NPC1 O15118 1/20 0.43
PIK3CA P42336 5/20 0.39
PRKDC P78527 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HCRTR1 O43613 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MAP3K11 Q16584 1/20 0.37
CYP2A6 P11509 1/20 0.37
FASN P49327 1/20 0.36
GPR142 Q7Z601 1/20 0.36
ABCB1 P08183 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL19657516 0.77 CREBBP (1.00) CREBBP
SCHEMBL21780433 0.75 GPR142 (0.48) PIK3CACA12CA9GPR142
SCHEMBL3791990 0.73 PIK3CA (0.46) CREBBPPIK3CAGPR142HDAC2
SCHEMBL3793868 0.71 HPGD (0.47) PIK3CAMAPT
SCHEMBL7236157 0.69 ITGB2 (0.40)
SCHEMBL3747407 0.69 PIK3CA (0.66) CREBBPPIK3CAPRKDC
SCHEMBL3798993 0.68 SMG1 (0.52) GPR142
SCHEMBL7084756 0.67 RAB9A (0.64) CREBBPNPC1MAPTCA12CA1
SCHEMBL5850255 0.67 NPC1 (0.79) NPC1CA12CA1CA2CA9
SCHEMBL24222564 0.65 ABCB1 (0.53) CREBBPNPC1CA12CA1CA2

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