SCHEMBL9740641

SCHEMBL9740641

O=CNc1ccc(C(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
RAB9A P51151 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPK1 P28482 2/20 0.49
MYOC Q99972 1/20 0.49
HSPB1 P04792 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
F13A1 P00488 1/20 0.39
FFAR1 O14842 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KIF11 P52732 1/20 0.39
SRD5A2 P31213 1/20 0.39
CA1 P00915 1/20 0.38

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
SCHEMBL9742180 0.88 PGR (0.46) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL9719384 0.87 HSPB1 (0.61) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL9741059 0.87 PTPN1 (0.42) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL9742626 0.81 ALDH1A1 (0.53) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL9742990 0.81 ACHE (0.53) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL9291230 0.79 KIF11 (0.45) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL30701709 0.78 ALDH1A1 (0.48) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL182888 0.78 ALDH1A1 (0.57) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL9742817 0.77 SRD5A2 (0.68) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL9742737 0.76 ALDH1A1 (0.58) MAPTRAB9AMEN1KMT2ANPC1

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-5110983-A Intermediates for heat-resistant polyamides and polyimides HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-05 US disclosed