SCHEMBL5873446

SCHEMBL5873446

COC(=O)c1ccc2oc(-c3c(Cl)cccc3Cl)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 2/20 0.55
HDAC6 Q9UBN7 6/20 0.54
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
HSPD1 P10809 2/20 0.50
PTPN2 P17706 2/20 0.50
PTPN1 P18031 2/20 0.50
PTPN5 P54829 2/20 0.50
HSPE1 P61604 2/20 0.50
ITGB1 P05556 2/20 0.50

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
SCHEMBL1250431 0.90 MAPT (0.56) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL444748 0.84 HDAC6 (0.55) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL19029279 0.84 HDAC6 (0.76) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19058371 0.81 MAPT (0.71) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL7610004 0.80 MAPT (0.81) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL29364254 0.80 MAPT (0.53) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL1096761 0.80 MAPT (0.53) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL5642041 0.78 MAPT (0.64) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL19058682 0.78 HDAC6 (0.74) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL6821226 0.78 MAPT (0.72) MAPTRAB9ASMN1; SMN2TP53HDAC6

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
US-7045539-B2 Therapeutic benzoxazole compounds ASTRAZENECA AB (SE) 2006-05-16 US claimed
US-6420418-B1 INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE MERCK & CO., INC. 2002-07-16 US disclosed
WO-2001012183-A1 HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2001-02-22 WO disclosed