SCHEMBL4789257

SCHEMBL4789257

CC1(C)Cc2cc([N+](=O)[O-])cc(OCCCN3CCN(c4cccc(Cl)c4)CC3)c2O1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
KCNH2 Q12809 2/20 0.47
ABCB1 P08183 3/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ENPP2 Q13822 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL4788339 0.86 KCNH2 (0.50) KCNH2ABCB1SIGMAR1HTR2A
Hydrochloric Acid SCHEMBL4789017 0.86 KCNH2 (0.49) KCNH2ABCB1SIGMAR1HTR2A
SCHEMBL4751067 0.84 HTR7 (0.47) SMN1; SMN2ALDH1A1LMNAABCB1MEN1
Hydrochloric Acid SCHEMBL4787404 0.83 KCNH2 (0.51) KCNH2ABCB1SIGMAR1HTR1A
SCHEMBL4751070 0.78 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL4750865 0.76 HTR1A (0.48) ALDH1A1LMNAMEN1KMT2ASIGMAR1
SCHEMBL4751068 0.75 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL4789354 0.75 HTR1A (0.39) ALDH1A1LMNAABCB1MEN1KMT2A
SCHEMBL4751039 0.74 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL4750825 0.74 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A

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