SCHEMBL11045583

SCHEMBL11045583

Cc1c(C(=O)c2ccccc2)[nH]c(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 2/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SRD5A2 P31213 1/20 0.38
CHRM4 P08173 1/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
TYMP P19971 1/20 0.36
GRM6 O15303 1/20 0.36

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
SCHEMBL11005116 0.86 ALDH1A1 (0.50) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL15140049 0.79 BCL2L11 (0.54) ALDH1A1MAPTLMNAALOX15HPGD
SCHEMBL11006234 0.77 CNR1 (0.42) ALDH1A1L3MBTL1HPGDTYMPCES2
SCHEMBL15151250 0.75 MCL1 (0.53) ALDH1A1MAPTLMNARAB9AMEN1
SCHEMBL8343752 0.72 ALDH1A1 (0.56) ALDH1A1MAPTLMNAALOX15MEN1
Acetic Acid SCHEMBL29024346 0.71 MAPT (0.43) ALDH1A1MAPTLMNARAB9AMEN1
SCHEMBL11694243 0.71 ALDH1A1 (0.50) ALDH1A1MAPTLMNARAB9AMEN1
SCHEMBL8447111 0.69 KDM4E (0.47) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL4783318 0.68 ALDH1A1 (0.46) ALDH1A1MAPTLMNAALOX15RAB9A
SCHEMBL7339717 0.68 PDE4A (0.66) ALDH1A1MAPTALOX15RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4456759-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTICOAGULANTS, AND MUSCLE RELAXANTS SYNTEX (U.S.A.) INC. (US) 1984-06-26 US disclosed
US-4347185-A DECARBOXYLATION OF THE 1,1-DICARBOXYLATES SYNTEX (U.S.A.) INC. (US) 1982-08-31 US disclosed