SCHEMBL16645316

SCHEMBL16645316

COC(=O)c1ccc(Nc2ccc(COC3CCCCO3)cc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.44
NPC1 O15118 3/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 2/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GFER P55789 1/20 0.40
EP300 Q09472 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
P2RX3 P56373 1/20 0.39
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
MEN1 O00255 1/20 0.38
ERAP2 Q6P179 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
CFTR P13569 1/20 0.38

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
SCHEMBL16634584 0.90 CREBBP (0.49) CREBBPNPC1HPGDRAB9AKMT2A
SCHEMBL3809200 0.83 KMT2A (0.48) CREBBPNPC1HPGDRAB9AKMT2A
SCHEMBL16634747 0.81 CREBBP (0.46) CREBBPNPC1HPGDRAB9AKMT2A
SCHEMBL2526406 0.78 CREBBP (0.48) CREBBPNPC1HPGDRAB9AKMT2A
SCHEMBL16645348 0.77 CREBBP (0.38) CREBBPNPC1HPGDRAB9AKMT2A
SCHEMBL4490282 0.77 PPM1D (0.49) CREBBPHPGDRAB9AMAPTKDM4E
SCHEMBL16077650 0.77 CREBBP (0.46) CREBBPNPC1HPGDRAB9AKMT2A
SCHEMBL20847148 0.76 PTGER4 (0.52) NPC1HPGDRAB9AKMT2AGAA
SCHEMBL16634741 0.76 KMT2A (0.55) CREBBPNPC1HPGDRAB9AKMT2A
SCHEMBL16634739 0.76 KMT2A (0.55) CREBBPNPC1HPGDRAB9AKMT2A

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-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed