SCHEMBL7316897

SCHEMBL7316897

COc1ccc(Cl)cc1-c1nc2ccc(Br)cc2c(=O)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.60
C1R P00736 3/20 0.51
AMY1A P0DUB6 1/20 0.49
TP53 P04637 1/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 2/20 0.47
TSHR P16473 1/20 0.47
STAT3 P40763 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KLK7 P49862 6/20 0.47
KLK14 Q9P0G3 6/20 0.47
KLK5 Q9Y337 6/20 0.47
CTSG P08311 5/20 0.47

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
SCHEMBL913690 0.84 ELANE (0.74) ELANEC1RALDH1A1HPGDKDM4E
SCHEMBL5790698 0.84 C1R (0.72) ELANEC1RTP53ALDH1A1HPGD
SCHEMBL10018572 0.76 KMT2A (0.52) ELANEC1RAMY1AALDH1A1HPGD
SCHEMBL5794442 0.76 ELANE (0.71) ELANEC1RALDH1A1HPGDKDM4E
SCHEMBL9984612 0.75 ELANE (1.00) ELANEC1RALDH1A1HPGDKDM4E
SCHEMBL30893109 0.74 ALDH1A1 (0.70) C1RTP53ALDH1A1HPGDKDM4E
SCHEMBL18131027 0.74 ALDH1A1 (0.70) C1RTP53ALDH1A1HPGDKDM4E
SCHEMBL914556 0.73 C1R (0.72) ELANEC1RALDH1A1KDM4EKMT2A
SCHEMBL5793015 0.73 KMT2A (0.63) ELANEC1RTP53ALDH1A1HPGD
SCHEMBL6565665 0.72 TP53 (0.70) ELANEC1RTP53ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180625-B1 MODULATING AND NORMALIZING AN IMPAIRED HAEMOSTATIC BALANCE IN A MAMMAL, WHICH METHOD COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF NOVEL BENZOXAZIN DERIVATIVES; ANTICOAGULANTS NOVO NORDISK A/S (DK) 2001-01-30 US claimed