SCHEMBL9030974

SCHEMBL9030974

ClC=Cc1ccc2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.63
NPC1 O15118 9/20 0.63
KDM4E B2RXH2 8/20 0.63
LMNA P02545 6/20 0.63
PKM P14618 2/20 0.63
MAPT P10636 8/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HTT P42858 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
ECE2 P0DPD6 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
TP53 P04637 1/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL9030970 1.00 RAB9A (0.63) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL28443608 0.87 RAB9A (0.80) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL4068608 0.83 NPC1 (0.57) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL5412134 0.81 RAB9A (0.66) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL5099524 0.81 RAB9A (0.66) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL5099515 0.81 RAB9A (0.66) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL9000404 0.79 RAB9A (0.69) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL9170782 0.79 RAB9A (0.89) RAB9ANPC1KDM4ELMNAPKM
Chimanine B SCHEMBL954132 0.79 KDM4E (0.63) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL6852547 0.79 RAB9A (0.63) RAB9ANPC1KDM4ELMNAPKM

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