SCHEMBL9520849

SCHEMBL9520849

c1cnn(-c2cc(N3CCCCC3)ncn2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.73
▸ HTT P42858 2/20 0.73
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ TSHR P16473 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ GLA P06280 1/20 0.48
▸ JAK2 O60674 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ GRM5 P41594 5/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ADORA2A P29274 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ ABCC1 P33527 1/20 0.42

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
SCHEMBL28380480 0.86 SMN1; SMN2 (0.71) SMN1; SMN2HTTNPC1RAB9AGLA
SCHEMBL9521570 0.84 SMN1; SMN2 (0.67) SMN1; SMN2HTTNPC1RAB9AGLA
SCHEMBL19548104 0.80 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ATSHRRECQL
SCHEMBL17753933 0.79 SMN1; SMN2 (0.61) SMN1; SMN2HTTNPC1RAB9AGLA
Hydrochloric Acid SCHEMBL19639681 0.78 SMN1; SMN2 (0.60) SMN1; SMN2HTTNPC1RAB9AGLA
SCHEMBL29606541 0.74 KDM4E (0.71) SMN1; SMN2HTTKDM4EMEN1LMNA
SCHEMBL24101616 0.74 SMN1; SMN2 (0.56) SMN1; SMN2HTTNPC1RAB9AGLA
SCHEMBL19658782 0.73 TAF1 (0.54) SMN1; SMN2HTTNPC1RAB9AGLA
SCHEMBL19639675 0.73 TAF1 (0.54) SMN1; SMN2HTTNPC1RAB9AGLA
SCHEMBL14970141 0.73 SMN1; SMN2 (0.54) SMN1; SMN2HTTNPC1RAB9AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257850-B1 Pyrimidine derivatives NISSIN FOOD PRODUCTS LTD (JP) 1993-12-08 — — EP claimed
EP-0301474-B1 NEW CYSTEINE DERIVATIVES HAVING EXPECTORANT ACTIVITY MAGIS FARMACEUTICI S.P.A. (IT) 1993-09-29 — — EP claimed
US-4849424-A ANTIULCER AGENTS NISSIN SHOKUHIN KABUSHIKI KAISHA (JP) 1989-07-18 — — US claimed
EP-0257850-B1 Pyrimidine derivatives NISSIN FOOD PRODUCTS LTD (JP) 1993-12-08 — — EP disclosed
US-4849424-A ANTIULCER AGENTS NISSIN SHOKUHIN KABUSHIKI KAISHA (JP) 1989-07-18 — — US disclosed
EP-0257850-A2 Pyrimidine derivatives NISSIN SHOKUHIN KABUSHIKI KAISHA doing international business as NISSIN FOOD PRODUCTS CO., LTD. (JP) 1988-03-02 — — EP disclosed
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