SCHEMBL5326087

SCHEMBL5326087

Cc1ccc2c(c1)-c1c(cnn1C(C=O)N1CCN(c3cc(C)ccc3C)CC1)CO2

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TP53 P04637 4/20 0.44
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PKM P14618 1/20 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
SCHEMBL3197854 0.74 POLB (0.72) MEN1KMT2ACYP1A2CYP2C9TP53
SCHEMBL5324564 0.72 MAPT (0.61) MEN1KMT2ATP53POLBMAPT
SCHEMBL5323358 0.72 MAPT (0.46) MEN1KMT2ATP53POLBMAPT
SCHEMBL5321302 0.70 MAPT (0.39) MEN1KMT2ACYP1A2CYP2C9TP53
SCHEMBL5326550 0.68 MEN1 (0.69) MEN1KMT2ACYP1A2CYP2C9TP53
SCHEMBL4016493 0.65 CCR1 (0.39) MEN1KMT2APOLBMAPTUSP2
SCHEMBL3188362 0.63 MEN1 (1.00) MEN1KMT2ACYP1A2CYP2C9TP53
SCHEMBL19009086 0.62 MEN1 (0.53) MEN1KMT2ATP53MAPTUSP2
SCHEMBL3185770 0.61 POLB (0.74) MEN1KMT2ACYP1A2CYP2C9TP53
SCHEMBL27974385 0.61 TSHR (0.55) MEN1KMT2ATP53POLBMAPT

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
WO-2007115232-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 — — WO disclosed
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