SCHEMBL7760048

SCHEMBL7760048

COc1ccc(CSc2ccccc2NC(=O)N2CCNCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
FAAH O00519 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 5/20 0.46
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 1/20 0.44
NCOR1 O75376 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
MEN1 O00255 4/20 0.44
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 1/20 0.43
MCL1 Q07820 1/20 0.43
CDK1 P06493 2/20 0.43
IGF1R P08069 2/20 0.43
FGFR1 P11362 2/20 0.43

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
SCHEMBL7761689 0.81 FAAH (0.50) MAPTFAAHALDH1A1LMNATP53
SCHEMBL7761692 0.80 POLB (0.47) FAAHALDH1A1KMT2AMAPK1MEN1
SCHEMBL7763284 0.80 MAPK1 (0.53) MAPTFAAHALDH1A1LMNATP53
SCHEMBL7761944 0.75 KMT2A (0.67) MAPTKMT2AL3MBTL1MEN1PKM
SCHEMBL7300289 0.75 MAPT (0.62) MAPTALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL651830 0.74 PKM (0.76) FAAHALDH1A1LMNATP53KMT2A
SCHEMBL5458965 0.74 MAPT (0.79) MAPTFAAHALDH1A1LMNAKMT2A
SCHEMBL654167 0.73 SMN1; SMN2 (0.60) ALDH1A1KMT2AMEN1PKMSMN1; SMN2
SCHEMBL4680684 0.73 SMN1; SMN2 (0.52) MAPTALDH1A1PKMSMN1; SMN2POLB
SCHEMBL7760879 0.73 MAPT (0.53) MAPTALDH1A1KMT2AMAPK1HDAC3

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-6541479-B1 Derivatives of thiosalicylic acid and o-aminobenzoic acid MASSACHUSETTS COLLEGE OF PHARMACY 2003-04-01 US disclosed
US-6541479-B1 Derivatives of thiosalicylic acid and o-aminobenzoic acid MASSACHUSETTS COLLEGE OF PHARMACY 2003-04-01 US disclosed