SCHEMBL4650792

SCHEMBL4650792

O=C(Cl)c1sc(Cl)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
OGG1 O15527 1/20 0.39
GABRA1 P14867 1/20 0.36
GABRA5 P31644 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LIMK1 P53667 2/20 0.35
IKBKB O14920 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL7970697 0.85 MCL1 (0.58) MCL1HDAC1HDAC8HDAC6OGG1
Hydrochloric Acid SCHEMBL27544067 0.83 MCL1 (0.56) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL8631381 0.74 OGG1 (0.43) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL8904180 0.74 CYP2A6 (0.47) MCL1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL64428 0.72 MCL1 (0.73) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL2721044 0.68 MCL1 (0.49) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL27629193 0.68 MCL1 (0.53) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL30980091 0.67 PTGS2 (0.56) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL2610245 0.67 RXFP1 (0.59) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL11147963 0.66 ALDH1A1 (0.44) MCL1HDAC1HDAC8HDAC6OGG1

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
EP-1972624-A1 Benzoxazinones and their use as ultraviolet light absorbers Clariant International Ltd. (CH) 2008-09-24 EP disclosed