SCHEMBL11577362

SCHEMBL11577362

O=C1Cc2cc([N+](=O)[O-])ccc2Oc2ccc(F)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 4/20 0.45
TDP2 O95551 1/20 0.41
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
TLR9 Q9NR96 1/20 0.40
NPC1 O15118 1/20 0.38
IDO1 P14902 1/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37

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
SCHEMBL4228822 0.90 MEN1 (0.50) MEN1KMT2AMAPTTDP2ALDH1A1
SCHEMBL11576199 0.84 MAPT (0.56) MEN1KMT2AMAPTTDP2ALDH1A1
SCHEMBL7114542 0.82 MEN1 (0.45) MEN1KMT2AMAPTTDP2ALDH1A1
SCHEMBL11577346 0.78 LMNA (0.41) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL11577980 0.78 MAOB (0.40) MEN1KMT2AALDH1A1L3MBTL1CA9
SCHEMBL11577383 0.78 HRH4 (0.46) ALDH1A1LMNAL3MBTL1GABRPGABRD
SCHEMBL5642473 0.77 MAOB (0.48) MEN1KMT2AALDH1A1RAB9ALMNA
SCHEMBL983449 0.75 MEN1 (0.51) MEN1KMT2AMAPTTDP2ALDH1A1
SCHEMBL11575864 0.75 MAOB (0.42) MEN1KMT2AALDH1A1
SCHEMBL17819451 0.73 KMT2A (0.43) MEN1KMT2AMAPTTDP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4118572-A CNS DEPRESSANTS, NEUROLEPTIC AGENTS, SCHIZOPHRENIA, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1978-10-03 US disclosed
US-4105664-A Dibenz[b,f]oxepin derivatives HOFFMANN-LA ROCHE INC. (US) 1978-08-08 US disclosed
US-4100173-A DEPRESSANTS, SCHIZOPHRENIA, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1978-07-11 US disclosed
US-4091023-A ANTISCHIZOPHRENIA AGENTS, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1978-05-23 US disclosed
US-4032525-A CNS DEPRESSANTS, NEUROLEPTICS HOFFMANN-LA ROCHE INC. (US) 1977-06-28 US disclosed