SCHEMBL11169136

SCHEMBL11169136

Nc1ccc(C(=O)Nc2ccc(C=Cc3ccc(NC(=O)c4ccc(N)cc4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.58
▸ POLB P06746 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ RAD51 Q06609 1/20 0.55
▸ CASP6 P55212 1/20 0.54
▸ CTDSP1 Q9GZU7 1/20 0.54
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ PRMT1 Q99873 3/20 0.48
▸ PTGS1 P23219 2/20 0.47
▸ SETD7 Q8WTS6 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL29402666 0.99 POLB (0.58) ENPP2POLBMEN1LMNAPKM
SCHEMBL11883332 0.99 ENPP2 (0.56) ENPP2POLBMEN1LMNAPKM
SCHEMBL17562375 0.94 POLB (0.52) ENPP2POLBMEN1LMNAPKM
SCHEMBL29360736 0.90 ENPP2 (0.53) ENPP2POLBMEN1APEX1KMT2A
SCHEMBL376794 0.90 ENPP2 (0.53) ENPP2POLBMEN1APEX1KMT2A
SCHEMBL700458 0.90 ENPP2 (0.53) ENPP2POLBMEN1APEX1KMT2A
SCHEMBL7219219 0.89 PRMT1 (0.52) ENPP2POLBMEN1LMNAPKM
SCHEMBL7664967 0.88 RAD51 (0.53) ENPP2POLBMEN1LMNAPKM
SCHEMBL7664975 0.88 RAD51 (0.53) ENPP2POLBMEN1LMNAPKM
SCHEMBL11883293 0.87 RAD51 (0.72) ENPP2POLBMEN1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160072098-A1 PHOTO-CURING COMPOSITION AND ENCAPSULATED DEVICE COMPRISING SAME SAMSUNG SDI CO., LTD. (KR) 2016-03-10 — — US disclosed
US-4384661-A DIMETHYL ETHER PROPELLANT, POLYMER, NONIONIC SURFACTANT EMULSIFIER PAGE EDWARD H 1983-05-24 — — US disclosed
Send feedback