SCHEMBL8931060

SCHEMBL8931060

O=C(Nc1ccccc1)c1ccccc1OCCCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 2/20 0.70
ALDH1A1 P00352 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
GAA P10253 1/20 0.61
ADRB2 P07550 1/20 0.57
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
PKM P14618 1/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
RECQL P46063 1/20 0.54
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
KDM4E B2RXH2 2/20 0.52
GLA P06280 1/20 0.51

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
SCHEMBL9856969 0.85 ALDH1A1 (0.58) SGMS2ALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL8827735 0.85 NR1H4 (0.59) SGMS2ALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL28661611 0.82 SGMS2 (0.68) SGMS2ALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL875474 0.82 SGMS2 (1.00) SGMS2ALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL2446724 0.82 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL26162537 0.81 MEN1 (0.56) SGMS2ALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL28787981 0.80 ABCB1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4970659 0.80 LMNA (0.66) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL28258128 0.78 CYSLTR2 (0.46) SGMS2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8368619 0.78 KMT2A (0.58) SGMS2ALDH1A1SMN1; SMN2GAAADRB2

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
JP-9268169-A None JP disclosed
JP-H09268169-A SALICYLIC ACID ANILIDE DERIVATIVE AND CONTROLLING AGENT FOR PLANT DISEASE INJURY CONTAINING THE SAME DERIVATIVE AS ACTIVE INGREDIENT OTSUKA CHEM CO LTD 1997-10-14 JP disclosed