SCHEMBL11566872

SCHEMBL11566872

CC(=O)C(C)(Cl)Cc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 2/20 0.41
KCNJ6 P48051 1/20 0.41
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
CTBP2 P56545 1/20 0.41
PNMT P11086 1/20 0.41
IDO1 P14902 1/20 0.41
HTT P42858 1/20 0.41
CTSK P43235 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39

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
SCHEMBL11563425 0.86 LMNA (0.46) RAB9ANPC1MAOAMAOBALDH1A1
SCHEMBL9208767 0.85 RAB9A (0.46) RAB9ANPC1MAOAMAOBALDH1A1
SCHEMBL14002893 0.79 IDO1 (0.45) RAB9ANPC1PNMTIDO1HTT
SCHEMBL11565474 0.78 EPHX2 (0.33) ALDH1A1KCNJ6KCNJ5KCNJ3HTT
SCHEMBL2943555 0.77 SMN1; SMN2 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11563435 0.76 AKR1B1 (0.41) HTTCYP1A2CYP3A4CYP2C19
SCHEMBL73408 0.76 IDO1 (0.50) RAB9ANPC1PNMTIDO1CYP1A2
SCHEMBL11567668 0.76 IDO1 (0.42) RAB9ANPC1ALDH1A1PNMTIDO1
SCHEMBL9696386 0.75 BLM (0.49) RAB9ANPC1ALDH1A1KCNJ6KCNJ5
SCHEMBL9767852 0.74 NPC1 (0.46) RAB9ANPC1MAOAMAOBALDH1A1

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
US-4145362-A DIAZOTIZATION OF ARYLAMINE IN PRESENCE OF ALKANOIC ACID, COPPER HALIDE CATALYST S.A. P R B EN NEERLANDAIS PRB N.V. (BE) 1979-03-20 US disclosed