SCHEMBL7369850

SCHEMBL7369850

COc1ccc([N+](=O)[O-])cc1-c1nc(C)c(-c2cccnc2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
AMY1A P0DUB6 2/20 0.45
CYP19A1 P11511 3/20 0.44
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
CCNE2 O96020 1/20 0.44
CCNE1 P24864 1/20 0.44

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
SCHEMBL7375757 0.92 RAB9A (0.52) RAB9AMAPTNPSR1TDP1KMT2A
SCHEMBL7369432 0.83 ABCB1 (0.41) RAB9AMAPTNPSR1TDP1KMT2A
SCHEMBL6219958 0.82 CYP19A1 (0.57) RAB9ATDP1KMT2AMEN1SMN1; SMN2
SCHEMBL7376120 0.82 MAPT (0.47) RAB9AMAPTNPSR1HTTSMN1; SMN2
SCHEMBL7370256 0.82 AMY1A (0.46) KMT2AMEN1CYP3A4SMN1; SMN2AMY1A
SCHEMBL7365284 0.81 PDGFRB (0.51) RAB9AMAPTCYP1A2CYP3A4SMN1; SMN2
SCHEMBL10564760 0.80 TUBB4A (0.45) RAB9AMAPTNPSR1LMNASMN1; SMN2
SCHEMBL7373890 0.80 PDGFRB (0.44) LMNACYP1A2CYP3A4CYP19A1CYP11B1
Hydrochloric Acid SCHEMBL7369410 0.79 PDE5A (0.58) MAPTNPSR1KMT2AMEN1SMN1; SMN2
SCHEMBL10519398 0.79 PDGFRB (0.49) RAB9AMAPTSMN1; SMN2CYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4822805-A ANTIINFLAMMATORY AGENTS, CARDIOTONIC AGENTS, ANTIPLATELET AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0257897-A1 Imidazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-02 EP disclosed