SCHEMBL7761689

SCHEMBL7761689

COc1ccc(CNc2ccccc2NC(=O)N2CCNCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HIF1A Q16665 1/20 0.46
PKM P14618 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45
GLA P06280 1/20 0.45
HDAC1 Q13547 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNQ2 O43526 1/20 0.44

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
SCHEMBL7763284 0.82 MAPK1 (0.53) FAAHKMT2AMEN1MAPTALDH1A1
SCHEMBL7760048 0.81 MAPT (0.50) FAAHKMT2AMEN1MAPTALDH1A1
SCHEMBL654167 0.80 SMN1; SMN2 (0.60) KMT2AMEN1ALDH1A1PKMSMN1; SMN2
SCHEMBL8366816 0.79 HDAC1 (0.58) KMT2AMEN1ALDH1A1HIF1APKM
SCHEMBL7760053 0.79 POLB (0.50) KMT2AMAPTALDH1A1LMNAMAPK1
SCHEMBL651830 0.76 PKM (0.76) FAAHKMT2AMEN1ALDH1A1LMNA
SCHEMBL5458965 0.76 MAPT (0.79) FAAHKMT2AMEN1MAPTALDH1A1
SCHEMBL30384496 0.73 MAPT (0.53) KMT2AMAPTALDH1A1TP53MAPK1
SCHEMBL2418935 0.73 MAPT (0.53) KMT2AMAPTALDH1A1TP53MAPK1
SCHEMBL7760885 0.73 HIF1A (0.78) KMT2AMEN1MAPTALDH1A1HIF1A

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