SCHEMBL11047289

SCHEMBL11047289

C=Cc1cccc(Cn2cncc2[N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.36
RECQL P46063 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
IDO1 P14902 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
TBXAS1 P24557 2/20 0.34
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AMY1A P0DUB6 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL11052393 0.84 CYP11B1 (0.37) ALDH1A1MEN1LMNAKMT2AIDO1
SCHEMBL17425121 0.80 CYP11B1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AIDO1
SCHEMBL11044543 0.72 ALDH1A1 (0.53) ALDH1A1LMNATBXAS1CYP2C9CYP2C19
SCHEMBL9533398 0.72 PPARG (0.35) ALDH1A1SMN1; SMN2LMNACYP1A2MAPT
SCHEMBL12209755 0.69 TP53 (0.41) FAAHALDH1A1MEN1LMNAKMT2A
SCHEMBL7848541 0.69 CYP11B1 (0.63) CYP11B1CYP11B2
SCHEMBL17963289 0.69 CYP11B1 (0.54) SMN1; SMN2KMT2AIDO1CYP11B1CYP11B2
SCHEMBL27381848 0.68 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2LMNACYP1A2CYP2C9
SCHEMBL11047192 0.66 TBXAS1 (0.64) CYP11B1CYP11B2TBXAS1CYP1A2POLB
SCHEMBL31307706 0.66 RAB9A (0.49) MAPTNPSR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4430445-A POLYAMIDINE HOHO- AND COPOLYMERS; OXIDATION RESISTANCE; METAL EXTRACTION; POLYEPOXIDE CURING AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-02-07 US disclosed