SCHEMBL15568834

SCHEMBL15568834

OCc1nc2ccccc2n1Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.74
▸ KMT2A Q03164 4/20 0.73
▸ LMNA P02545 4/20 0.73
▸ MEN1 O00255 3/20 0.73
▸ ALDH1A1 P00352 3/20 0.64
▸ CYP2C9 P11712 2/20 0.64
▸ CYP2C19 P33261 2/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ TP53 P04637 3/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ MAPT P10636 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ TNF P01375 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.60
▸ PDE6D O43924 1/20 0.59
▸ ALDH2 P05091 1/20 0.59
▸ ALDH3A1 P30838 1/20 0.59
▸ TSHR P16473 1/20 0.58
▸ NPC1 O15118 1/20 0.57

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
SCHEMBL13186949 0.89 HIF1A (0.67) POLBKMT2ALMNAMEN1ALDH1A1
SCHEMBL13508302 0.88 SMN1; SMN2 (0.72) POLBKMT2ALMNAMEN1TP53
SCHEMBL12771528 0.88 LMNA (0.69) POLBKMT2ALMNAMEN1ALDH1A1
SCHEMBL229324 0.86 MEN1 (0.78) POLBKMT2ALMNAMEN1ALDH1A1
SCHEMBL228889 0.86 LMNA (0.90) KMT2ALMNAMEN1ALDH1A1CYP2C9
SCHEMBL15685952 0.85 LMNA (1.00) KMT2ALMNAMEN1ALDH1A1CYP2C9
SCHEMBL103530 0.85 MEN1 (1.00) KMT2ALMNAMEN1ALDH1A1CYP2C9
SCHEMBL9740603 0.84 ALDH1A1 (0.66) POLBKMT2ALMNAMEN1ALDH1A1
Hydrochloric Acid SCHEMBL10353601 0.83 MEN1 (0.97) KMT2ALMNAMEN1ALDH1A1CYP2C9
SCHEMBL6361819 0.83 RAB9A (0.78) POLBKMT2ALMNAMEN1ALDH1A1

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-2014027053-A1 BENZIMIDAZOLES FOR THE TREATMENT OF CANCER MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-02-20 — — WO disclosed
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