SCHEMBL10469563

SCHEMBL10469563

CC(=O)N(C)c1ccc(CCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.53
POLB P06746 3/20 0.53
ALDH1A1 P00352 7/20 0.46
RAB9A P51151 4/20 0.46
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 3/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.40
CASP6 P55212 1/20 0.40
KMT2A Q03164 1/20 0.40
SRD5A1 P18405 1/20 0.39

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
SCHEMBL9173108 0.86 CA1 (0.45) SMN1; SMN2POLBALDH1A1RAB9AALOX15
SCHEMBL14341655 0.82 SMN1; SMN2 (0.61) SMN1; SMN2POLBALDH1A1RAB9AALOX15
SCHEMBL8953609 0.82 CA1 (0.42) SMN1; SMN2POLBALDH1A1RAB9AHSD17B10
SCHEMBL8430102 0.82 SMN1; SMN2 (0.50) SMN1; SMN2POLBALDH1A1RAB9AALOX15
SCHEMBL8953650 0.82 SMN1; SMN2 (0.50) SMN1; SMN2POLBALDH1A1RAB9AALOX15
SCHEMBL9706241 0.81 EGFR (0.58) SMN1; SMN2ALDH1A1CA1CA2HTT
SCHEMBL8953767 0.80 SMN1; SMN2 (0.49) SMN1; SMN2POLBALDH1A1RAB9AALOX15
SCHEMBL27911758 0.80 SMN1; SMN2 (0.49) SMN1; SMN2POLBALDH1A1RAB9AALOX15
SCHEMBL9705596 0.79 MLYCD (0.40) SMN1; SMN2POLBALDH1A1RAB9AMAPT
SCHEMBL7540622 0.79 ROCK2 (0.48) SMN1; SMN2POLBALDH1A1RAB9AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4940719-A Tetrahydrocarbazole esters, pharmaceutical compositions and use MERCK FROSST CANADA, INC. (CA) 1990-07-10 US disclosed
EP-0310179-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1989-04-05 EP disclosed
EP-0307077-A1 Tetrahydrocarbazoles for the improvement of cyclosporin therapy MERCK FROSST CANADA INC. (CA) 1989-03-15 EP disclosed
US-4808608-A ANTIALLERGENS, HYPOTENSIVE AGENT, ANTICOAGULANT MERCK & CO., INC. (US) 1989-02-28 US disclosed
EP-0300676-A2 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1989-01-25 EP disclosed