SCHEMBL10985012

SCHEMBL10985012

CCNC(=O)c1ccccc1Nc1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.60
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ABCG2 Q9UNQ0 2/20 0.55
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
MT-CO2 P00403 2/20 0.53
TOP1 P11387 1/20 0.53
PTGS1 P23219 1/20 0.53
MAPT P10636 4/20 0.52
ALOX12 P18054 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PTK2 Q05397 1/20 0.52
ALOX15 P16050 1/20 0.50
CXCR2 P25025 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
AKR1C3 P42330 1/20 0.49

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
SCHEMBL10989397 0.89 PTGS2 (0.64) PTGS2MEN1KMT2AABCG2KDM4E
SCHEMBL10985039 0.85 MAPT (0.69) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL10990122 0.84 MEN1 (0.61) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL10515711 0.84 MEN1 (0.65) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL1499605 0.84 PTGS2 (0.59) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL1499413 0.83 PTGS2 (0.61) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL28689403 0.83 MT-CO2 (0.72) PTGS2MEN1KMT2AALDH1A1HPGD
SCHEMBL12767204 0.82 KMT2A (0.65) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL28676345 0.82 MEN1 (0.72) PTGS2MEN1KMT2AABCG2KDM4E
SCHEMBL10988985 0.82 ALDH1A1 (0.63) PTGS2MEN1KMT2AKDM4EALDH1A1

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-4549016-A LIPOXYGENASE INHIBITORS, ANTIALLERGENS, ANTIASTHMA AGENTS STERLING DRUG INC. (US) 1985-10-22 US disclosed
US-4510139-A ANTYIALLERGENS; ASTHMA STERLING DRUG INC. (US) 1985-04-09 US disclosed