SCHEMBL7330330

SCHEMBL7330330

O=[N+]([O-])c1cccc(C2=NCC(=S)Nc3ccc(Cl)cc32)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 8/20 0.71
▸ ALDH1A1 P00352 2/20 0.67
▸ PKM P14618 1/20 0.67
▸ HTT P42858 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ ALOX12 P18054 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ PDE4D Q08499 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ CNR1 P21554 1/20 0.52
▸ NTSR1 P30989 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ GABRP O00591 3/20 0.48
▸ GABRD O14764 3/20 0.48
▸ GABRA1 P14867 3/20 0.48
▸ GABRB1 P18505 3/20 0.48
▸ GABRG2 P18507 3/20 0.48
▸ GABRB3 P28472 3/20 0.48
▸ GABRA5 P31644 3/20 0.48

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
SCHEMBL7322518 0.83 CHRM1 (1.00) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL7323716 0.81 CHRM1 (1.00) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL29627864 0.81 CHRM1 (1.00) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL7321391 0.78 GABRA1 (0.78) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL4377703 0.75 CHRM1 (0.63) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL7331645 0.75 CHRM1 (0.69) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL10507850 0.74 PGR (0.44) CHRM1ALDH1A1PDE4DLMNAHPGD
SCHEMBL6718340 0.74 MAPK10 (0.50) ALDH1A1SMN1; SMN2LMNACNR1GABRP
SCHEMBL11833651 0.73 CHRM1 (0.70) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL7376244 0.73 CHRM1 (0.73) CHRM1ALDH1A1PKMHTTNPSR1

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-3987052-A SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS THE UPJOHN COMPANY (US) 1976-10-19 — — US disclosed
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