SCHEMBL11272304

SCHEMBL11272304

O=C(O)C[N+]1(c2ccccc2)CCN(Cc2ccc(Cl)cc2Cl)C1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.45
▸ P2RX7 Q99572 8/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ PMP22 Q01453 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ EPHX2 P34913 1/20 0.40

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
SCHEMBL11263084 0.84 HPGD (0.44) SIGMAR1P2RX7CYP2D6CYP2C19ALDH1A1
SCHEMBL7239164 0.67 P2RX7 (0.55) SIGMAR1P2RX7CYP1A2CYP3A4CYP2D6
SCHEMBL13613506 0.65 MEN1 (0.55) SIGMAR1P2RX7ALDH1A1MAPTMAPK1
SCHEMBL30798198 0.64 KMT2A (0.57) SIGMAR1P2RX7ALDH1A1MAPTMAPK1
SCHEMBL11799876 0.64 ALDH1A1 (0.62) SIGMAR1P2RX7CYP1A2CYP3A4CYP2D6
SCHEMBL7237400 0.64 P2RX7 (0.46) SIGMAR1P2RX7CYP1A2CYP3A4CYP2D6
SCHEMBL11269563 0.64 LMNA (0.62) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL10690514 0.63 SIGMAR1 (0.47) SIGMAR1P2RX7CYP1A2CYP3A4CYP2D6
SCHEMBL7245747 0.63 P2RX7 (0.47) P2RX7CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL19370620 0.62 DDB1 (0.55) SIGMAR1P2RX7ALDH1A1MAPTKDM4E

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
EP-0019440-B1 BENZIMIDAZOLONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1982-09-29 — — EP disclosed
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