SCHEMBL6603475

SCHEMBL6603475

O=S(=O)=C(c1ccccc1)c1cc[nH]n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 2/20 0.31
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
DAO P14920 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
PKM P14618 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30

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
SCHEMBL135361 0.76 KMT2A (0.50) F2LMNATSHRCES2CES1
SCHEMBL11256292 0.75 F2 (0.33) F2LMNATSHRCES2CES1
SCHEMBL1025147 0.73 CES1 (0.48) F2LMNATSHRCES2CES1
SCHEMBL9350740 0.72 F2 (0.37) F2LMNATSHRCES2CES1
SCHEMBL28785921 0.72 MAPT (0.33) F2LMNATSHRCES2CES1
SCHEMBL1177045 0.72 CES2 (0.34) F2LMNATSHRCES2CES1
SCHEMBL30081232 0.72 MEN1 (0.37) F2LMNATSHRCES2CES1
SCHEMBL7738334 0.72 PKM (0.37) F2LMNATSHRCES2CES1
Benzamide SCHEMBL27945852 0.70 L3MBTL1 (0.55) LMNATSHRDAONAPRTALDH1A1
SCHEMBL28529893 0.70 RAB9A (0.50) F2ALDH1A1RAB9AGAASMN1; SMN2

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
EP-1308446-B1 5-(alkylidene-cycloalkyl)- and 5-(alkylidene-heterocyclyl)-pyrazoles PFIZER PROD INC (US) 2004-12-08 EP disclosed