SCHEMBL17847355

SCHEMBL17847355

CC(C)CNC(=O)c1cccc(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.78
GAA P10253 2/20 0.78
HSD17B10 Q99714 1/20 0.78
HPGD P15428 2/20 0.65
MEN1 O00255 4/20 0.61
GPR139 Q6DWJ6 2/20 0.61
ATM Q13315 2/20 0.61
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
TP53 P04637 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CNR1 P21554 1/20 0.52
P2RX7 Q99572 1/20 0.51

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
SCHEMBL5688132 0.85 KMT2A (0.56) KMT2AGAAHSD17B10HPGDMEN1
SCHEMBL12443610 0.84 SMN1; SMN2 (0.62) KMT2AGAAHSD17B10HPGDMEN1
SCHEMBL19112997 0.84 KMT2A (0.55) KMT2AGAAHSD17B10HPGDMEN1
SCHEMBL184399 0.83 HSD17B10 (0.66) KMT2AGAAHSD17B10HPGDGPR139
SCHEMBL161881 0.82 KMT2A (0.81) KMT2AGAAHSD17B10HPGDMEN1
SCHEMBL1753831 0.82 KMT2A (0.81) KMT2AGAAHSD17B10HPGDMEN1
SCHEMBL161880 0.82 GAA (0.81) KMT2AGAAHSD17B10HPGDMEN1
SCHEMBL6889431 0.82 GAA (0.87) KMT2AGAAHSD17B10HPGDMEN1
SCHEMBL27727377 0.82 GAA (0.87) KMT2AGAAHSD17B10HPGDMEN1
SCHEMBL19112848 0.82 KMT2A (0.53) KMT2AGAAHSD17B10HPGDMEN1

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-2016097394-A1 BICYCLIC SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-23 WO claimed