SCHEMBL4828368

SCHEMBL4828368

Clc1cc(-c2cccs2)ncn1.Clc1cc(-c2cccs2)ncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
HSD17B10 Q99714 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
CASP1 P29466 1/20 0.42
MAPK10 P53779 1/20 0.42
CASP7 P55210 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL1445236 1.00 KDM4E (0.47) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL1781579 0.86 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL12608099 0.79 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL1445183 0.78 MIF (0.52) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL27733014 0.78 MEN1 (0.50) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL27732880 0.76 ASIC3 (0.55) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL1781026 0.76 CDC7 (0.39) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL9438481 0.76 ADORA2A (0.54) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL2383189 0.74 KDM4E (0.50) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL20576337 0.74 KDM4E (0.52) KDM4EALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7374702-B2 n-Type thiophene semiconductors NORTHWESTERN UNIVERSITY (US) 2008-05-20 US disclosed
US-20060124909-A1 n-Type thiophene semiconductors POLYERA CORPORATION 2006-06-15 US disclosed
US-20050119440-A1 n-Type thiophene semiconductors NATIONAL SCIENCE FOUNDATION 2005-06-02 US disclosed
WO-2003010778-A1 n-TYPE THIOPHENE SEMICONDUCTORS NORTHWESTERN UNIVERSITY (US) 2003-02-06 WO disclosed