SCHEMBL9869479

SCHEMBL9869479

CSC(=O)c1cccnc1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
RAB9A P51151 2/20 0.47
TSHR P16473 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.43
ATM Q13315 2/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 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
SCHEMBL258223 0.82 ALDH1A1 (0.55) L3MBTL1RAB9ATSHRALDH1A1CYP2C9
SCHEMBL158842 0.82 POLB (0.49) L3MBTL1RAB9ATSHRCASP3SENP8
SCHEMBL2306128 0.80 SYK (0.48) RAB9AALDH1A1CYP2C9SMN1; SMN2NPC1
SCHEMBL9869486 0.80 POLB (0.47) L3MBTL1RAB9ATSHRCASP3SENP8
SCHEMBL4500023 0.79 L3MBTL1 (0.60) L3MBTL1RAB9ATSHRCASP3SENP8
SCHEMBL6069713 0.78 POLB (0.43) L3MBTL1RAB9ATSHRCASP3SENP8
SCHEMBL4489937 0.77 P2RX7 (0.55) L3MBTL1RAB9AALDH1A1CYP2C9SMN1; SMN2
Hydrochloric Acid SCHEMBL11508163 0.77 SYK (0.46) RAB9AALDH1A1CYP2C9SMN1; SMN2NPC1
SCHEMBL7109226 0.77 TSHR (0.50) L3MBTL1TSHRALDH1A1POLBLMNA
SCHEMBL17595922 0.77 L3MBTL1 (0.58) L3MBTL1RAB9ATSHRCASP3SENP8

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-5006532-A Enzyme inhibitor; antiinflammatory agents MERCK & CO. INC., INC. (US) 1991-04-09 US disclosed
US-4904672-A Derivatives of 3-hydroxyazabenzo[b]thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1990-02-27 US disclosed
US-4767766-A Derivatives of 3-hydroxyazabenzo(B)thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1988-08-30 US disclosed