SCHEMBL7075852

SCHEMBL7075852

N=C(N)N(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 3/20 0.45
BLM P54132 2/20 0.45
RECQL P46063 2/20 0.45
POLB P06746 2/20 0.45
CYP3A4 P08684 2/20 0.45
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
F12 P00748 1/20 0.45
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
PKM P14618 1/20 0.45
PARP1 P09874 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
PMP22 Q01453 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL11789327 0.87 KMO (0.42) TDP1L3MBTL1SMN1; SMN2RAB9AF2
Benzoylphenylurea SCHEMBL83109 0.84 L3MBTL1 (0.48) TDP1L3MBTL1SMN1; SMN2RAB9AMAPT
SCHEMBL10937900 0.83 L3MBTL1 (0.53) TDP1L3MBTL1SMN1; SMN2RAB9AMAPT
Benzoylphenylurea SCHEMBL31707309 0.82 TDP1 (0.46) TDP1L3MBTL1SMN1; SMN2RAB9AMAPT
SCHEMBL5670293 0.82 PLAU (0.59) TDP1SMN1; SMN2MAPTCYP3A4F2
SCHEMBL3073692 0.82 ALDH1A1 (0.45) TDP1L3MBTL1RAB9AMAPTBLM
SCHEMBL7361311 0.82 NPSR1 (0.43) TDP1L3MBTL1RAB9AMAPTBLM
SCHEMBL2892980 0.81 TDP1 (0.46) TDP1L3MBTL1SMN1; SMN2RAB9APOLB
SCHEMBL458998 0.81 ALDH1A1 (0.46) TDP1L3MBTL1MAPTBLMRECQL
SCHEMBL2762261 0.81 ALDH1A1 (0.50) TDP1L3MBTL1SMN1; SMN2RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3950395-A ANTHELMINTICS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 US claimed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
US-3950395-A ANTHELMINTICS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 US disclosed
US-3950395-A ANTHELMINTICS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 US disclosed
US-3950395-A ANTHELMINTICS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 US disclosed