SCHEMBL9212481

SCHEMBL9212481

CC(=O)NCCSc1ccc(N)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.70
MTNR1B P49286 4/20 0.70
TSHR P16473 2/20 0.50
KMT2A Q03164 2/20 0.50
TEAD1 P28347 1/20 0.49
YAP1 P46937 1/20 0.49
TEAD4 Q15561 1/20 0.49
TEAD2 Q15562 1/20 0.49
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 2/20 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
SCHEMBL8412413 0.84 MTNR1A (0.72) MTNR1AMTNR1BTSHRKMT2ATEAD1
SCHEMBL660740 0.83 TEAD1 (0.71) MTNR1AMTNR1BKMT2ATEAD1YAP1
SCHEMBL10316528 0.82 MTNR1A (1.00) MTNR1AMTNR1BKMT2AALDH1A1HPGD
SCHEMBL9221638 0.81 MTNR1A (0.68) MTNR1AMTNR1BTSHRKMT2ATEAD1
SCHEMBL3400130 0.80 MTNR1A (1.00) MTNR1AMTNR1BKMT2AALDH1A1HPGD
SCHEMBL1009290 0.79 MTNR1A (0.70) MTNR1AMTNR1BTSHRKMT2ATEAD1
SCHEMBL8620244 0.79 MTNR1A (0.70) MTNR1AMTNR1BTSHRKMT2ATEAD1
SCHEMBL8409377 0.79 MTNR1A (0.75) MTNR1AMTNR1BTSHRKMT2ATEAD1
SCHEMBL24671054 0.79 IDO1 (0.49) MTNR1AMTNR1BTEAD1YAP1TEAD4
SCHEMBL8921661 0.78 MTNR1A (0.54) MTNR1AMTNR1BTSHRKMT2AALDH1A1

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
WO-1995002848-A1 MULTIFUNCTIONAL AZO COMPOUNDS AND POLYMERS DERIVED THEREFROM FOR NONLINEAR OPTICS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-26 WO disclosed