SCHEMBL8559711

SCHEMBL8559711

Cc1cc(F)ccc1-c1nc(Cc2ccccc2)oc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.41
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
TSHR P16473 1/20 0.40
SLC40A1 Q9NP59 4/20 0.39
EDNRB P24530 4/20 0.38
EDNRA P25101 4/20 0.38
PTGS2 P35354 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL8554836 0.90 ALDH1A1 (0.48) MAPTALDH1A1LMNATSHRSLC40A1
SCHEMBL8560599 0.90 MAPT (0.46) MAPTALDH1A1LMNACCNT1CDK9
SCHEMBL8553419 0.88 ALDH1A1 (0.50) MAPTALDH1A1LMNATSHRSLC40A1
SCHEMBL8555187 0.88 MAPT (0.46) MAPTALDH1A1LMNATSHRSLC40A1
SCHEMBL8560974 0.87 ALDH1A1 (0.44) MAPTALDH1A1CCNT1CDK9SLC40A1
SCHEMBL8558680 0.87 ALDH1A1 (0.52) MAPTALDH1A1LMNATSHRSLC40A1
SCHEMBL8559359 0.86 ALDH1A1 (0.47) MAPTALDH1A1LMNATSHRSLC40A1
SCHEMBL8558352 0.84 MAPT (0.42) MAPTALDH1A1LMNACCNT1CDK9
SCHEMBL8556753 0.83 ALDH1A1 (0.48) MAPTALDH1A1LMNATSHRSLC40A1
SCHEMBL8560513 0.83 MAPT (0.49) MAPTALDH1A1LMNASLC40A1EDNRB

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
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed