SCHEMBL9127827

SCHEMBL9127827

N=C(Nc1ccc(Cl)cc1)Nc1ncccc1OCc1c(F)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPIA P62937 6/20 0.50
SGMS2 Q8NHU3 2/20 0.49
PPIF P30405 1/20 0.47
CNR1 P21554 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
DHODH Q02127 2/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9129017 0.95 SGMS2 (0.50) PPIASGMS2PPIFTDP1DHODH
SCHEMBL9124032 0.95 PPIA (0.53) PPIASGMS2PPIFCNR1RAB9A
SCHEMBL9126729 0.93 SGMS2 (0.55) PPIASGMS2PPIFTDP1DHODH
SCHEMBL9127894 0.92 PPIA (0.55) PPIASGMS2PPIFTDP1RAB9A
SCHEMBL9123957 0.92 SGMS2 (0.48) PPIASGMS2PPIFTDP1DHODH
SCHEMBL9128706 0.89 PPIA (0.52) PPIASGMS2PPIFRAB9ASMN1; SMN2
SCHEMBL9126946 0.88 PPIA (0.53) PPIASGMS2PPIFTDP1DHODH
SCHEMBL9124294 0.88 PPIA (0.50) PPIASGMS2PPIFCNR1TDP1
SCHEMBL9125584 0.87 CNR1 (0.45) PPIASGMS2CNR1DHODHRAB9A
SCHEMBL9129421 0.86 PPIF (0.55) PPIASGMS2PPIFTDP1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5424478-A Process for producing vitamin A derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-06-13 US disclosed