SCHEMBL11147693

SCHEMBL11147693

O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC1CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
LMNA P02545 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 2/20 0.55
POLB P06746 1/20 0.55
HCAR3 P49019 3/20 0.54
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.52
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48

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
SCHEMBL11146431 0.96 MAPT (0.70) MAPTLMNASMN1; SMN2HTTPOLB
SCHEMBL11145573 0.95 MAPT (0.72) MAPTLMNASMN1; SMN2HTTPOLB
SCHEMBL6944865 0.86 MAPT (0.64) MAPTLMNASMN1; SMN2HTTHCAR3
SCHEMBL27346954 0.83 MAPT (0.56) MAPTLMNASMN1; SMN2HTTPOLB
SCHEMBL8578400 0.83 MAPT (0.73) MAPTLMNASMN1; SMN2HTTPOLB
SCHEMBL6941586 0.82 MAPT (0.58) MAPTLMNASMN1; SMN2HTTHCAR3
SCHEMBL6941409 0.82 MAPT (0.58) MAPTLMNASMN1; SMN2HTTHCAR3
SCHEMBL6941411 0.82 MAPT (0.58) MAPTLMNASMN1; SMN2HTTHCAR3
SCHEMBL7752904 0.81 AKR1C4 (0.67) MAPTPOLBHCAR3KMT2ARAB9A
SCHEMBL3021466 0.81 MAPT (0.70) MAPTLMNASMN1; SMN2POLBHCAR3

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-RE31237-E 2-Benzoyl-4-nitroanilides and their use as medicaments PIERRE FABRE S.A. (FR) 1983-05-10 US disclosed
US-4289770-A HYPNOTIC AGENTS FOR TREATMENT OF INSOMNIA PIERRE FABRE S.A. (FR) 1981-09-15 US disclosed