SCHEMBL21285960

SCHEMBL21285960

O=C(Cc1ccccc1)Nc1ccc(N2CCC(F)(F)C2)cn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 3/20 0.54
DEGS1 O15121 1/20 0.54
HSD17B10 Q99714 1/20 0.49
CACNA1H O95180 6/20 0.48
WNT3A P56704 5/20 0.47
CACNA1G O43497 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
NR4A1 P22736 1/20 0.46

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
SCHEMBL21286277 0.93 DEGS1 (0.56) EP300DEGS1HSD17B10WNT3AMEN1
SCHEMBL21286268 0.83 ALDH1A1 (0.66) DEGS1HSD17B10WNT3AMEN1KMT2A
SCHEMBL22953557 0.81 NPC1 (0.68) EP300DEGS1HSD17B10WNT3AMEN1
SCHEMBL22953919 0.79 WNT3A (0.69) WNT3A
SCHEMBL1064387 0.77 ALDH1A1 (0.48) EP300CACNA1HWNT3ACACNA1GCACNA1I
SCHEMBL22953917 0.77 TSHR (0.61) EP300DEGS1HSD17B10WNT3ANPC1
SCHEMBL5833087 0.77 DEGS1 (0.50) DEGS1HSD17B10WNT3AMEN1KMT2A
SCHEMBL22953913 0.76 EP300 (0.56) EP300DEGS1HSD17B10WNT3ANPC1
SCHEMBL24932139 0.75 EP300 (0.45) EP300DEGS1CACNA1HMAPT
SCHEMBL17654161 0.74 GLS (0.56) DEGS1HSD17B10WNT3ANPC1RAB9A

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-2019161162-A1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS, INC. (US) 2019-08-22 WO disclosed