SCHEMBL9379486

SCHEMBL9379486

Cc1ccn2cc(C=Cc3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.43
CTSL P07711 3/20 0.43
ALDH1A1 P00352 8/20 0.42
LMNA P02545 5/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
MAPT P10636 4/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
AGTR1 P30556 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL9379483 1.00 CTSV (0.43) CTSVCTSLALDH1A1LMNACYP1A2
SCHEMBL9380386 0.93 MAPT (0.39) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL9380389 0.93 MAPT (0.39) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL9378625 0.89 SMN1; SMN2 (0.51) CTSVCTSLALDH1A1LMNASMN1; SMN2
SCHEMBL9378630 0.89 SMN1; SMN2 (0.51) CTSVCTSLALDH1A1LMNASMN1; SMN2
SCHEMBL9375758 0.82 TLR9 (0.41) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL9375752 0.82 TLR9 (0.41) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL9381202 0.81 MAPT (0.44) CTSVCTSLALDH1A1LMNASMN1; SMN2
SCHEMBL9381205 0.81 MAPT (0.44) CTSVCTSLALDH1A1LMNASMN1; SMN2
SCHEMBL4645564 0.76 ALDH1A1 (0.62) CTSVCTSLALDH1A1LMNACYP1A2

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-0356234-B1 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-05-11 EP disclosed
US-5047411-A Antiulcer Agents, H2-Receptor Antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0356234-A2 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed