SCHEMBL8475920

SCHEMBL8475920

O=S(=O)(c1cc2c(-c3ccccc3Cl)cccc2[nH]1)N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.47
MAPK1 P28482 2/20 0.45
CYP3A4 P08684 2/20 0.45
NFKB1 P19838 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
MYLK Q15746 1/20 0.45
MAPT P10636 2/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
PMP22 Q01453 1/20 0.44
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
TDO2 P48775 2/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL8286894 0.76 PKM (0.56) HTR6CYP3A4KMT2AMEN1CYP1A2
SCHEMBL8476811 0.75 HRH4 (0.60) MAPK14
SCHEMBL7450856 0.74 CYP3A4 (0.58) HTR6MAPK1CYP3A4NFKB1KMT2A
SCHEMBL4936109 0.70 USP2 (0.57) MAPTUSP2PKMKDR
SCHEMBL6421791 0.70 USP2 (0.57) MAPTUSP2PKM
Hydrochloric Acid SCHEMBL6728400 0.69 USP2 (0.56) MAPTUSP2PKMKDR
SCHEMBL16026638 0.69 MAPT (0.59) HTR6MAPK1CYP3A4NFKB1KMT2A
SCHEMBL7450870 0.68 TDO2 (0.56) HTR6MAPK1CYP3A4NFKB1KMT2A
SCHEMBL30610303 0.68 USP2 (0.66) HTR6MAPK1CYP3A4NFKB1KMT2A
SCHEMBL654111 0.68 USP2 (0.66) HTR6MAPK1CYP3A4NFKB1KMT2A

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-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed