SCHEMBL11534280

SCHEMBL11534280

COCn1ccnc1C(O)(c1ccccc1)c1ccccc1C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
ACSS2 Q9NR19 9/20 0.37
MEN1 O00255 2/20 0.36
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL11534182 0.81 KMT2A (0.48) KMT2AACSS2MEN1ALDH1A1CYP19A1
SCHEMBL11537324 0.81 KMT2A (0.48) KMT2AACSS2MEN1ATM
SCHEMBL11537386 0.81 CYP19A1 (0.43) KMT2AACSS2MEN1ATMALDH1A1
SCHEMBL11531933 0.79 KMT2A (0.45) KMT2AACSS2ALDH1A1CYP19A1
SCHEMBL11534499 0.77 KCNH2 (0.40) KMT2AMEN1ALDH1A1NPSR1CYP19A1
SCHEMBL11536188 0.76 CYP19A1 (0.41) KMT2ACYP19A1
SCHEMBL11533903 0.76 AHR (0.43) KMT2AACSS2
SCHEMBL11531498 0.76 USP2 (0.41) KMT2AACSS2CYP19A1
SCHEMBL11535928 0.75 KMT2A (0.49) KMT2AACSS2MEN1ATMTDP1
SCHEMBL20866508 0.73 KMT2A (0.59) KMT2AACSS2MEN1ATM

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