SCHEMBL16082499

SCHEMBL16082499

O=C(NCc1ccccc1Cl)c1ccc2c(c1)ncn2-c1ccc2c(c1)OCO2

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.70
▸ LMNA P02545 2/20 0.61
▸ HPGD P15428 2/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ RAB9A P51151 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
SCHEMBL16082480 0.85 TP53 (0.81) TP53LMNAHPGDRXFP1MEN1
SCHEMBL16082522 0.84 TP53 (0.82) TP53LMNAHPGDRXFP1MEN1
SCHEMBL16082518 0.82 TP53 (1.00) TP53LMNAHPGDMEN1KMT2A
SCHEMBL16082498 0.82 TP53 (0.85) TP53LMNAHPGDRXFP1MEN1
SCHEMBL16082494 0.82 TP53 (0.75) TP53LMNAHPGDRXFP1MEN1
SCHEMBL16082486 0.81 TP53 (0.77) TP53LMNAHPGDRXFP1MEN1
SCHEMBL16082482 0.81 TP53 (0.80) TP53LMNAHPGDRXFP1MEN1
SCHEMBL16082478 0.81 TP53 (0.80) TP53LMNAHPGDMEN1KMT2A
SCHEMBL16082915 0.80 TP53 (0.68) TP53LMNAHPGDRXFP1MEN1
SCHEMBL16082484 0.80 TP53 (0.84) TP53LMNAHPGDRXFP1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790188-B2 Benzimidazole derivatives and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-10-17 — — US disclosed
WO-2014145887-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-09-18 — — WO disclosed
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