SCHEMBL4750825

SCHEMBL4750825

CC1(C)Cc2cc([N+](=O)[O-])cc(OCCCBr)c2O1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CYP19A1 P11511 3/20 0.34
TLR3 O15455 1/20 0.34
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4751070 0.89 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4751039 0.88 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4751068 0.86 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4753368 0.86 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4753173 0.86 MAPT (0.41) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4750822 0.84 CHRNB2 (0.44) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL6734151 0.82 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4750795 0.81 FFAR4 (0.36) ALDH1A1LMNASMN1; SMN2NPC1MAPT
SCHEMBL4750498 0.77 FFAR4 (0.36) ALDH1A1LMNANPC1MAPTKMT2A
SCHEMBL4044524 0.76 LMNA (0.42) ALDH1A1LMNASMN1; SMN2NPC1RAB9A

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
WO-2008146063-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT6 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársagág (HU) 2008-12-04 WO disclosed