SCHEMBL7330628

SCHEMBL7330628

S=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 1/20 1.00
▸ SMN1; SMN2 Q16637 1/20 1.00
▸ CHRM1 P11229 8/20 0.77
▸ ALDH1A1 P00352 1/20 0.74
▸ PKM P14618 1/20 0.74
▸ HTT P42858 1/20 0.74
▸ NPSR1 Q6W5P4 1/20 0.74
▸ GABRA1 P14867 4/20 0.72
▸ GABRA5 P31644 4/20 0.72
▸ GABRA3 P34903 4/20 0.72
▸ GABRA2 P47869 4/20 0.72
▸ GABRB2 P47870 4/20 0.72
▸ GABRP O00591 3/20 0.72
▸ GABRD O14764 3/20 0.72
▸ GABRB1 P18505 3/20 0.72
▸ GABRG2 P18507 3/20 0.72
▸ GABRB3 P28472 3/20 0.72
▸ GABRA4 P48169 3/20 0.72
▸ GABRE P78334 3/20 0.72
▸ GABRA6 Q16445 3/20 0.72

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
SCHEMBL11384670 0.87 ALOX12 (0.77) ALOX12SMN1; SMN2CHRM1ALDH1A1PKM
SCHEMBL7319957 0.87 SMN1; SMN2 (0.77) ALOX12SMN1; SMN2CHRM1ALDH1A1PKM
SCHEMBL11826679 0.87 ALOX12 (0.77) ALOX12SMN1; SMN2CHRM1ALDH1A1PKM
SCHEMBL7320356 0.87 ALOX12 (0.77) ALOX12SMN1; SMN2CHRM1ALDH1A1PKM
SCHEMBL30320323 0.87 CHRM1 (1.00) ALOX12SMN1; SMN2CHRM1ALDH1A1PKM
SCHEMBL7328311 0.87 CHRM1 (1.00) ALOX12SMN1; SMN2CHRM1ALDH1A1PKM
SCHEMBL7323716 0.85 CHRM1 (1.00) ALOX12SMN1; SMN2CHRM1ALDH1A1PKM
SCHEMBL29627864 0.85 CHRM1 (1.00) ALOX12SMN1; SMN2CHRM1ALDH1A1PKM
Delorazepam SCHEMBL29375434 0.84 GABRA1 (1.00) ALOX12SMN1; SMN2CHRM1ALDH1A1PKM
Delorazepam SCHEMBL32681132 0.84 GABRA1 (1.00) ALOX12SMN1; SMN2CHRM1ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4902794-A Triazolo-benzodiazepines THE UPJOHN COMPANY (US) 1990-02-20 — — US disclosed
US-4444781-A Process for inducing hypnosis THE UPJOHN COMPANY (US) 1984-04-24 — — US disclosed
US-4094870-A 2-Substituted thio-1,4-benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-06-13 — — US disclosed
US-4010177-A [3-Substituted-5-[(di-methylamino)methyl]-4H-1,2,4-triazol-4-yl]benzophenones and process THE UPJOHN COMPANY (US) 1977-03-01 — — US disclosed
US-3992408-A CHEMICAL INTERMEDIATES THE UPJOHN COMPANY (US) 1976-11-16 — — US disclosed
US-3987052-A SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS THE UPJOHN COMPANY (US) 1976-10-19 — — US disclosed
US-3980790-A 3980790 A)-(1,4)BENZODIAZEPINE COMPOSITIONS AND METHOD OF TREATMENTSOPORIF THE UPJOHN COMPANY (US) 1976-09-14 — — US disclosed
US-3933794-A CENTRAL NERVOUS SYSTEM DEPRESSANTS THE UPJOHN COMPANY (US) 1976-01-20 — — US disclosed
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