SCHEMBL11538930

SCHEMBL11538930

O=C(Nc1cccc(F)c1)Nc1ccccc1-n1ccnc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.76
▸ KMT2A Q03164 5/20 0.76
▸ CD38 P28907 2/20 0.57
▸ IDH2 P48735 3/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ MAPT P10636 2/20 0.53
▸ NPC1 O15118 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ CYP3A4 P08684 1/20 0.48
▸ BTK Q06187 1/20 0.48
▸ PTGER3 P43115 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ BLM P54132 1/20 0.46
▸ IKBKB O14920 1/20 0.46
▸ PDPK1 O15530 1/20 0.46

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
SCHEMBL11539010 0.88 KMT2A (0.67) MEN1KMT2ACD38IDH2TAAR1
SCHEMBL11541657 0.86 MEN1 (0.76) MEN1KMT2AIDH2TAAR1RAB9A
SCHEMBL11537220 0.86 MEN1 (0.76) MEN1KMT2ACD38IDH2CYP3A4
SCHEMBL11536552 0.86 KMT2A (1.00) MEN1KMT2ACD38IDH2RAB9A
SCHEMBL11535043 0.85 IDH2 (0.72) MEN1KMT2AIDH2RAB9AMAPT
SCHEMBL11540163 0.85 MEN1 (0.60) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL11542433 0.84 MEN1 (0.76) MEN1KMT2ACD38IDH2RAB9A
SCHEMBL11472293 0.83 MEN1 (0.71) MEN1KMT2AIDH2RAB9AMAPT
SCHEMBL11537785 0.83 MEN1 (0.71) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL11538530 0.83 MEN1 (0.71) MEN1KMT2AIDH2RAB9AMAPT

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-4160097-A INTERMEDIATES FOR FUNGICIDAL AND ANTIINFLAMMATORY 4-SUBSTITUTED IMIDAZO(1,2-A)QUINOXALINES WESTWIND PHARMACEUTICALS, INC. (US) 1979-07-03 — — US claimed
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