SCHEMBL10768960

SCHEMBL10768960

CCCCN(Cc1ccccc1)C(=S)Nc1cccc(C)c1C

nearest known ligand 0.86

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.86
EGFR P00533 3/20 0.58
ALDH1A1 P00352 5/20 0.54
HTT P42858 2/20 0.54
ALOX12 P18054 1/20 0.54
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.51
GLA P06280 1/20 0.49
ERBB2 P04626 2/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CRHBP P24387 1/20 0.47
NPBWR1 P48145 1/20 0.47
CRHR2 Q13324 1/20 0.47
MCHR1 Q99705 1/20 0.47

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
SCHEMBL10768964 0.82 KMT2A (0.64) KMT2AEGFRALDH1A1ALOX12MAPT
SCHEMBL5455537 0.80 ALDH1A1 (0.69) KMT2AEGFRALDH1A1HTTMAPT
SCHEMBL11135607 0.76 ALDH1A1 (0.57) KMT2AALDH1A1HTTMAPTMAPK1
SCHEMBL11137929 0.76 KMT2A (0.64) KMT2AEGFRALDH1A1HTTALOX12
SCHEMBL10887028 0.74 KDM4E (0.56) KMT2AALDH1A1MAPK1MEN1
SCHEMBL10888698 0.74 KDM4E (0.56) KMT2AALDH1A1MAPK1MEN1
SCHEMBL10891925 0.74 KDM4E (0.56) KMT2AALDH1A1MAPK1MEN1
SCHEMBL10891067 0.74 KDM4E (0.56) KMT2AALDH1A1MAPK1MEN1
SCHEMBL10886838 0.74 KDM4E (0.56) KMT2AALDH1A1MAPK1MEN1
SCHEMBL10887592 0.74 KDM4E (0.56) KMT2AALDH1A1MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239170-A1 Stabilized lactam polymerization solutions DSM RIM NYLON V.O.F (NL) 1987-09-30 EP disclosed
US-4694039-A Stabilized lactam polymerization solutions DSM RIM NYLON V.O.F. (NL) 1987-09-15 US disclosed
US-4672085-A LACTAM SUBSTITUTED POLYBUTADIENE INITIATOR,TRISUBTITED UREA STABILIZER;NYLON BLOCK COPOLYMERS DSM RIM NYLON VOF (NL) 1987-06-09 US disclosed