SCHEMBL11535928

SCHEMBL11535928

C=Cn1ccnc1C(O)(c1ccccc1)c1ccccc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.33
LMNA P02545 2/20 0.32
HCRTR1 O43613 1/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACSS2 Q9NR19 2/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL11542036 0.87 KMT2A (0.51) KMT2AGAASMN1; SMN2MEN1ATM
SCHEMBL11540604 0.81 KMT2A (0.42) KMT2AGAASMN1; SMN2MEN1LMNA
SCHEMBL11534505 0.79 KMT2A (0.48) KMT2AGAASMN1; SMN2MEN1ATM
SCHEMBL11534280 0.75 KMT2A (0.47) KMT2AGAAMEN1ATMNPSR1
SCHEMBL11535538 0.66 CYP19A1 (0.51) KMT2AATMCFTRGOPCTDP1
SCHEMBL20866508 0.63 KMT2A (0.59) KMT2AMEN1ATMACSS2
SCHEMBL11591149 0.62 CRHBP (0.53) KMT2AMEN1ATMLMNACFTR
SCHEMBL11533042 0.61 KMT2A (0.46) KMT2ASMN1; SMN2MEN1ATMLMNA
SCHEMBL11531547 0.60 KMT2A (0.77) KMT2AMEN1MAPK1ACSS2CYP3A4
SCHEMBL26606321 0.60 ALDH1A1 (0.46) KMT2AGAAMAPK1NPSR1TDP1

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