SCHEMBL9645665

SCHEMBL9645665

Cc1ccc(N2C=CNC(=O)N2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.41
F2 P00734 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CTRC Q99895 1/20 0.41
ALOX5 P09917 1/20 0.40
MGLL Q99685 1/20 0.38
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL9645791 0.71 ALOX5 (0.42) ELANEALOX5MGLLMAPTALDH1A1
SCHEMBL9645705 0.63 ALOX5 (0.46) ALOX5MAPTALDH1A1MAPK1HSD17B10
SCHEMBL28353519 0.63 F2 (0.35) ELANEF2CTSGCMA1CTRC
SCHEMBL13798745 0.60 ADRB1 (0.45) ELANEF2CTSGCMA1CTRC
SCHEMBL19214040 0.59 ELANE (1.00) ELANEF2CTSGCMA1CTRC
SCHEMBL11734241 0.59 GSK3A (0.57) ELANEF2CTSGCMA1CTRC
SCHEMBL12613234 0.59 GSK3A (0.57) ELANEF2CTSGCMA1CTRC
SCHEMBL10361315 0.59 F2 (0.35) ELANEF2CTSGCMA1CTRC
SCHEMBL5328006 0.59 GSK3A (0.60) ELANEF2CTSGCMA1CTRC
SCHEMBL28357023 0.59 F2 (0.39) ELANEF2CTSGCMA1CTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
EP-0299449-A2 Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-01-18 EP disclosed