SCHEMBL3774883

SCHEMBL3774883

CCC(=O)Nc1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
RAB9A P51151 4/20 0.59
ALDH1A1 P00352 3/20 0.59
POLB P06746 3/20 0.59
MAPT P10636 2/20 0.59
CYP3A4 P08684 2/20 0.59
NPC1 O15118 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
GAA P10253 3/20 0.59
NR4A1 P22736 1/20 0.57
HPGD P15428 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
ESRRA P11474 1/20 0.55
PDE10A Q9Y233 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL3777911 0.81 SMN1; SMN2 (0.68) MEN1KMT2ARAB9AALDH1A1POLB
SCHEMBL21988179 0.81 NPC1 (0.64) MEN1KMT2ARAB9AALDH1A1POLB
SCHEMBL9961294 0.81 PARP1 (0.75) MEN1KMT2ARAB9AALDH1A1POLB
SCHEMBL3776520 0.79 KMT2A (0.65) MEN1KMT2ARAB9AALDH1A1POLB
SCHEMBL11957585 0.79 NPSR1 (0.69) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL10970617 0.79 RAB9A (0.85) MEN1KMT2ARAB9AALDH1A1POLB
SCHEMBL14199692 0.79 MAPT (0.82) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1285643 0.79 ALDH1A1 (0.73) MEN1KMT2ARAB9AALDH1A1POLB
SCHEMBL31152634 0.79 ALDH1A1 (0.73) MEN1KMT2ARAB9AALDH1A1POLB
SCHEMBL13989319 0.78 GAA (0.73) MEN1KMT2ARAB9AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236867-B2 Polymer complex having channels and method for chemically modifying inner surfaces of channels of polymer complex THE UNIVERSITY OF TOKYO (JP) 2012-08-07 US disclosed
US-8236867-B2 Polymer complex having channels and method for chemically modifying inner surfaces of channels of polymer complex THE UNIVERSITY OF TOKYO (JP) 2012-08-07 US disclosed
US-8236867-B2 Polymer complex having channels and method for chemically modifying inner surfaces of channels of polymer complex THE UNIVERSITY OF TOKYO (JP) 2012-08-07 US disclosed
US-20100324249-A1 POLYMER COMPLEX HAVING CHANNELS AND METHOD FOR CHEMICALLY MODIFYING INNER SURFACES OF CHANNELS OF POLYMER COMPLEX TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2010-12-23 US disclosed
US-20100324249-A1 POLYMER COMPLEX HAVING CHANNELS AND METHOD FOR CHEMICALLY MODIFYING INNER SURFACES OF CHANNELS OF POLYMER COMPLEX TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2010-12-23 US disclosed
US-20100324249-A1 POLYMER COMPLEX HAVING CHANNELS AND METHOD FOR CHEMICALLY MODIFYING INNER SURFACES OF CHANNELS OF POLYMER COMPLEX TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2010-12-23 US disclosed