SCHEMBL11533532

SCHEMBL11533532

OC(c1ccc(F)cc1)(c1ccc(F)cc1)c1nccn1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.46
KMT2A Q03164 3/20 0.44
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
USP2 O75604 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1347394 0.90 KMT2A (0.54) LMNAKMT2AALDH1A1MEN1CYP1A2
SCHEMBL11531880 0.88 KMT2A (0.47) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL11533194 0.88 KMT2A (0.54) KMT2ACYP11B1CYP11B2ALDH1A1MEN1
SCHEMBL11533715 0.86 KMT2A (0.53) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL11537324 0.81 KMT2A (0.48) RAB9AKMT2AMEN1USP2
SCHEMBL11531936 0.80 MEN1 (0.48) LMNAKMT2AALDH1A1MEN1CYP1A2
SCHEMBL6544989 0.80 KMT2A (0.50) RAB9AKMT2AALDH1A1MEN1USP2
SCHEMBL11533042 0.79 KMT2A (0.46) RAB9ALMNAKMT2AALDH1A1MEN1
SCHEMBL11531498 0.77 USP2 (0.41) RAB9AKMT2AUSP2HSP90AA1
SCHEMBL17810214 0.76 HSD17B10 (0.48) RAB9AKMT2ACYP11B1CYP11B2ALDH1A1

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-4152441-A Analgesic imidazolemethanols GIST-BROCADES N.V. (NL) 1979-05-01 US disclosed