SCHEMBL19657312

SCHEMBL19657312

CNC(=O)c1ccc2c(c1)c(I)nn2C1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 2/20 0.51
▸ PDE7A Q13946 9/20 0.41
▸ SPR P35270 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ SSTR4 P31391 1/20 0.39
▸ TEAD1 P28347 1/20 0.38
▸ TEAD4 Q15561 1/20 0.38
▸ TEAD2 Q15562 1/20 0.38
▸ RET P07949 3/20 0.37
▸ KDR P35968 3/20 0.37
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ F10 P00742 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
SCHEMBL19657320 0.87 CREBBP (0.52) CREBBPPDE7ASPRKDM4C
SCHEMBL22822410 0.84 CREBBP (0.50) CREBBPPDE7ASPRKDM4CSSTR4
SCHEMBL20594787 0.77 ALDH1A1 (0.43) TEAD1TEAD4TEAD2
SCHEMBL15792505 0.75 KDM4C (0.50) KDM4CPDE1APDE1BPDE1C
SCHEMBL19644534 0.73 CNR2 (0.46) CREBBPPDE7ASPRKDM4CSSTR4
SCHEMBL29704358 0.73 CNR2 (0.46) CREBBPPDE7ASPRKDM4CSSTR4
SCHEMBL19657665 0.69 CREBBP (0.48) CREBBPPDE7ASPR
SCHEMBL30159627 0.69 ALDH1A1 (0.41) —
SCHEMBL9904651 0.69 ALDH1A1 (0.41) —
SCHEMBL34471842 0.69 GSK3B (0.44) CREBBPKDM4CPDE1APDE1BPDE1C

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-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — WO disclosed
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