SCHEMBL7327894

SCHEMBL7327894

O=C(Nc1ccccc1OCc1ccccc1)C1CCc2[nH]cnc2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.47
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 2/20 0.41
PPIA P62937 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 1/20 0.38
LMNA P02545 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38

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
SCHEMBL7327902 0.92 BRD4 (0.47) BRD4POLBL3MBTL1TDP1GAA
SCHEMBL7327002 0.88 SMN1; SMN2 (0.53) POLBGAATSHRSMN1; SMN2MAPK1
SCHEMBL7326394 0.85 SMN1; SMN2 (0.55) L3MBTL1TSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL7328287 0.85 SMN1; SMN2 (0.55) L3MBTL1TSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL7326401 0.85 SMN1; SMN2 (0.55) L3MBTL1TSHRSMN1; SMN2MEN1ALDH1A1
Fumaric Acid SCHEMBL7331885 0.85 SMN1; SMN2 (0.48) POLBGAATSHRSMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL7324768 0.85 SMN1; SMN2 (0.54) L3MBTL1TSHRSMN1; SMN2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL7331894 0.85 SMN1; SMN2 (0.54) L3MBTL1TSHRSMN1; SMN2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL7326067 0.85 SMN1; SMN2 (0.54) L3MBTL1TSHRSMN1; SMN2MEN1ALDH1A1
Fumaric Acid SCHEMBL9617092 0.83 GAA (0.38) POLBGAAPKMTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376624-B1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMA CO LTD (JP) 1994-09-14 EP disclosed
US-4977175-A GASTROINTESTINAL DISORDERS, ANTIEMETICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-12-11 US disclosed
EP-0376624-A1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1990-07-04 EP disclosed