SCHEMBL9730943

SCHEMBL9730943

Cc1cc(Cl)c2c(Cl)ccc(C)c2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NR4A2 P43354 4/20 0.43
CRHR1 P34998 2/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.37
PSMD14 O00487 1/20 0.36
MITF O75030 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
RAD52 P43351 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL17502187 0.83 KMT2A (0.44) MAPTL3MBTL1NR4A2CRHR1KDM4E
SCHEMBL437233 0.83 NR4A2 (0.51) MAPTL3MBTL1NR4A2CRHR1KDM4E
SCHEMBL17502192 0.80 MAPT (0.60) MAPTL3MBTL1NR4A2CRHR1KDM4E
SCHEMBL9493505 0.78 CYP3A4 (0.36) NR4A2ALDH1A1
SCHEMBL17539138 0.77 L3MBTL1 (0.41) MAPTL3MBTL1NR4A2KDM4EALDH1A1
SCHEMBL318514 0.74 MAPT (0.64) MAPTL3MBTL1NR4A2CRHR1KDM4E
SCHEMBL11805706 0.74 MAPT (0.52) MAPTL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL9730966 0.73 KDM4E (0.38) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL7468572 0.72 CYP1A2 (0.42) MAPTKDM4EALDH1A1HPGD
SCHEMBL12204267 0.72 BDKRB2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104884-A Rheumatic diseases, fungicides ALKALOIDA VEGYESZETI GYAR (HU) 1992-04-14 US disclosed
EP-0221947-B1 TRIAZOLYL QUINOLINE DERIVATIVES ALKALOIDA VEGYéSZETI GYáR (HU) 1990-11-28 EP disclosed
EP-0221947-A1 TRIAZOLYL QUINOLINE DERIVATIVES. ALKALOIDA VEGYESZETI GYAR (HU) 1987-05-20 EP disclosed
WO-1986006721-A1 TRIAZOLYL QUINOLINE DERIVATIVES ALKALOIDA VEGYÉSZETI GYÁR (HU) 1986-11-20 WO disclosed