SCHEMBL6940654

SCHEMBL6940654

O=C(c1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
LMNA P02545 2/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
GPR84 Q9NQS5 1/20 0.56
GAA P10253 2/20 0.55
MGAM O43451 1/20 0.55
SI P14410 1/20 0.55
MGAM2 Q2M2H8 1/20 0.55
MET P08581 1/20 0.53
SMO Q99835 1/20 0.53
XDH P47989 1/20 0.52
TP53 P04637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50

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
SCHEMBL9386982 0.91 MEN1 (0.54) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL9334168 0.89 GPR84 (0.59) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL8792576 0.85 F7 (0.53) MAPTMEN1KMT2ALMNAXDH
SCHEMBL8793654 0.85 MET (0.66) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL15712665 0.83 GABRP (0.61)
SCHEMBL31380217 0.82 GABRP (0.56) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL31324677 0.80 PKM (0.45) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL298527 0.80 MET (0.56) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL29567770 0.80 GPR84 (0.57) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL22634965 0.79 GPR84 (0.65) RAB9AGPR84TP53ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6515141-B1 Process for the preparation of indole derivatives or salts thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-04 US disclosed
CN-1382123-A Process for preparation of indole derivatives or salts thereof FUJISAWA PHARMACEUTICAL CO (JP) 2002-11-27 CN disclosed
EP-1207153-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES OR SALTS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
EP-0458207-B1 Indole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-03-26 EP disclosed
CN-1030701-C Indole derivatives and process for production thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-01-17 CN disclosed
EP-0603278-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-29 EP disclosed
US-5312829-A Testosterone 5alpha-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-17 US disclosed
US-5212320-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-18 US disclosed
WO-1993005019-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-18 WO disclosed
CN-1056685-A Indole derivatives and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-04 CN disclosed
EP-0458207-A2 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-27 EP disclosed