SCHEMBL9564994

SCHEMBL9564994

O=C(C[n+]1ccccc1)N(Br)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
LTA4H P09960 2/20 0.48
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 4/20 0.46
NOX1 Q9Y5S8 2/20 0.46
ALOX5 P09917 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
AR P10275 1/20 0.44

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
SCHEMBL8402761 0.78 LTA4H (0.56) RAB9ASMN1; SMN2NPC1LTA4HKMT2A
Bromide SCHEMBL7915837 0.77 LTA4H (0.54) RAB9ASMN1; SMN2NPC1LTA4HKMT2A
SCHEMBL4666205 0.69 RAB9A (0.74) RAB9ASMN1; SMN2NPC1LTA4HKMT2A
SCHEMBL21295527 0.68 MEN1 (0.77) RAB9ASMN1; SMN2NPC1LTA4HKMT2A
SCHEMBL5659338 0.67 LTA4H (0.76) RAB9ASMN1; SMN2NPC1LTA4HKMT2A
SCHEMBL7453076 0.67 CYP1A2 (0.57) RAB9ASMN1; SMN2NPC1LTA4HKMT2A
Bromide SCHEMBL8857566 0.67 HDAC3 (0.63) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL22862421 0.67 CYP1A2 (0.66) RAB9ASMN1; SMN2NPC1LTA4HKMT2A
SCHEMBL1799092 0.67 NPC1 (0.61) RAB9ASMN1; SMN2NPC1LTA4HKMT2A
SCHEMBL2750411 0.67 SMN1; SMN2 (0.75) RAB9ASMN1; SMN2NPC1LTA4HKMT2A

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
EP-0568850-A1 Photographic silver halide systems containing water soluble cyclodextrin-adjuvant adducts E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-11-10 EP claimed
EP-0568850-A1 Photographic silver halide systems containing water soluble cyclodextrin-adjuvant adducts E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-11-10 EP disclosed