SCHEMBL8765022

SCHEMBL8765022

Clc1ccccc1-c1cnn(-c2ccccc2)c1-c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.58
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 2/20 0.47
MITF O75030 1/20 0.47
S1PR4 O95977 1/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
XBP1 P17861 1/20 0.47
S1PR1 P21453 1/20 0.47
HTT P42858 1/20 0.47
PAX8 Q06710 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 1/20 0.45
GAA P10253 1/20 0.43
DCTPP1 Q9H773 1/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL8765028 0.90 HIF1A (0.55) HIF1ANPC1RAB9AMAPTMITF
SCHEMBL27968340 0.80 GAA (0.51) HIF1ANPC1RAB9AMAPTMITF
SCHEMBL27968342 0.80 NPC1 (0.44) HIF1ANPC1RAB9AMAPTMITF
SCHEMBL12854139 0.77 HIF1A (0.69) HIF1ANPC1RAB9AALDH1A1S1PR1
SCHEMBL25258689 0.74 HIF1A (0.75) HIF1ANPC1RAB9AMAPTMITF
SCHEMBL29405019 0.74 HIF1A (0.75) HIF1ANPC1RAB9AMAPTMITF
SCHEMBL14747796 0.73 PTGS2 (0.68) HIF1ANPC1RAB9AMAPTMITF
SCHEMBL8765024 0.71 RAB9A (0.69) HIF1ANPC1RAB9AMAPTALDH1A1
SCHEMBL29042745 0.71 MPO (0.49) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL7912407 0.71 NPC1 (0.65) HIF1ANPC1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731794-B1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS SEARLE & CO (US) 1997-08-06 EP disclosed
US-5639777-A 1,4,5-triphenyl pyrazolyl compounds for the treatment of inflammation and inflammation-related disorders G.D. SEARLE & CO. (US) 1997-06-17 US disclosed
US-5401765-A FOR TREATING ARTHRITIS, PAIN AND FEVER Searle, G. D. (US) 1995-03-28 US disclosed