SCHEMBL9031830

SCHEMBL9031830

CC(Cl)=Cc1ccc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
KDM4E B2RXH2 8/20 0.56
LMNA P02545 7/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
HTT P42858 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 1/20 0.56
RAB9A P51151 10/20 0.53
NPC1 O15118 9/20 0.53
TP53 P04637 2/20 0.51
PKM P14618 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NFKB1 P19838 3/20 0.48
NFKB2 Q00653 3/20 0.48
RELA Q04206 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.47
ECE2 P0DPD6 2/20 0.47

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
SCHEMBL1980663 0.83 RAB9A (0.58) MAPTKDM4ELMNASMN1; SMN2HTT
SCHEMBL25753399 0.83 RAB9A (0.58) MAPTKDM4ELMNASMN1; SMN2HTT
SCHEMBL1081956 0.83 RAB9A (0.58) MAPTKDM4ELMNASMN1; SMN2HTT
SCHEMBL13359933 0.79 RAB9A (0.58) MAPTKDM4ELMNASMN1; SMN2HTT
SCHEMBL27494494 0.79 KDM4E (0.57) MAPTKDM4ELMNASMN1; SMN2HTT
SCHEMBL27560798 0.79 NPC1 (0.58) MAPTKDM4ELMNASMN1; SMN2HTT
SCHEMBL3529280 0.77 KDM4E (0.59) MAPTKDM4ELMNASMN1; SMN2HTT
SCHEMBL3530470 0.77 KDM4E (0.59) MAPTKDM4ELMNASMN1; SMN2HTT
SCHEMBL3529276 0.77 KDM4E (0.59) MAPTKDM4ELMNASMN1; SMN2HTT
SCHEMBL5099857 0.77 RAB9A (0.56) MAPTKDM4ELMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397697-B1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RHONE POULENC RORER INT (US) 1996-08-28 EP disclosed
US-5166210-A QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-11-24 US disclosed
EP-0397697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-07-03 EP disclosed
US-5028615-A Treatment of hypersensitivity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-07-02 US disclosed
EP-0397697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4?. RORER INT OVERSEAS (US) 1990-11-22 EP disclosed
WO-1989004304-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed