SCHEMBL9511125

SCHEMBL9511125

CCN(CC)CCSc1nc2ccccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.69
▸ RAB9A P51151 4/20 0.67
▸ NPC1 O15118 4/20 0.67
▸ ALDH1A1 P00352 1/20 0.66
▸ EPHX2 P34913 1/20 0.61
▸ SMN1; SMN2 Q16637 5/20 0.61
▸ POLB P06746 1/20 0.61
▸ AR P10275 6/20 0.60
▸ LMNA P02545 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ TP53 P04637 1/20 0.55
▸ TXN P10599 1/20 0.54

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
SCHEMBL9512670 0.85 ALDH1A1 (0.83) BCHERAB9ANPC1ALDH1A1EPHX2
SCHEMBL10766969 0.85 ALDH1A1 (0.74) BCHERAB9ANPC1ALDH1A1EPHX2
SCHEMBL8098342 0.83 RAB9A (0.82) BCHERAB9ANPC1ALDH1A1EPHX2
SCHEMBL11475158 0.82 BCHE (1.00) BCHERAB9ANPC1ALDH1A1EPHX2
SCHEMBL9012473 0.82 KMT2A (0.63) BCHERAB9ANPC1ALDH1A1EPHX2
SCHEMBL2236478 0.81 TSHR (0.63) ALDH1A1SMN1; SMN2POLBLMNAHPGD
Hydrochloric Acid SCHEMBL10492814 0.80 TSHR (0.48) BCHERAB9ANPC1ALDH1A1EPHX2
Hydrochloric Acid SCHEMBL10492839 0.80 TSHR (0.48) BCHERAB9ANPC1ALDH1A1AR
SCHEMBL425175 0.80 RAB9A (1.00) BCHERAB9ANPC1ALDH1A1EPHX2
SCHEMBL10871003 0.80 ALDH1A1 (0.67) BCHERAB9ANPC1ALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214796-B2 Process for production of 1-[2-(benzimidazol-2-yl-thio)ethyl]piperazine or salts thereof KOWA CO., LTD. (JP) 2007-05-08 — — US disclosed
EP-0334818-B1 Pharmacologically active alkylthiobenz imidazole derivatives and process for the preparation thereof DOMPE FARMACEUTICI SPA (IT) 1993-12-01 — — EP disclosed
US-4983620-A ANTIHISTAMINES, ANTIALLERGENS DOMPE FARMACEUTICI S.P.A. (IT) 1991-01-08 — — US disclosed
EP-0334818-A1 Pharmacologically active alkylthiobenz imidazole derivatives and process for the preparation thereof DOMPE' FARMACEUTICI S.p.A. (IT) 1989-09-27 — — EP disclosed
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