SCHEMBL29746437

SCHEMBL29746437

O=C(O)c1ccc2[nH]c(COC3CCCCO3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CREBBP Q92793 2/20 0.43
HRH3 Q9Y5N1 1/20 0.41
EP300 Q09472 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SSTR3 P32745 1/20 0.38
RAB9A P51151 1/20 0.37
GRM1 Q13255 1/20 0.36
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
MAPK1 P28482 1/20 0.35
CRHR2 Q13324 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
PTPN1 P18031 1/20 0.35
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35

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
SCHEMBL30514529 0.89 ALDH1A1 (0.41) KMT2AMEN1CREBBPEP300ALDH1A1
SCHEMBL24570312 0.89 ALDH1A1 (0.41) KMT2AMEN1CREBBPEP300ALDH1A1
SCHEMBL15560839 0.89 MEN1 (0.55) KMT2AMEN1CREBBPHRH3EP300
SCHEMBL29746500 0.83 KDM4C (0.36) KMT2AMEN1CREBBPEP300ALDH1A1
SCHEMBL27418998 0.81 ALDH1A1 (0.43) KMT2AMEN1CREBBPEP300ALDH1A1
SCHEMBL378049 0.79 KMT2A (0.43) KMT2AMEN1CREBBPALDH1A1KDM4E
SCHEMBL3811958 0.76 KMT2A (0.64) KMT2AMEN1CREBBPEP300ALDH1A1
SCHEMBL4309447 0.74 CREBBP (0.59) KMT2AMEN1CREBBPEP300ALDH1A1
SCHEMBL26926590 0.73 HRH3 (0.55) HRH3ALDH1A1KDM4EKDM4C
SCHEMBL4505041 0.73 MEN1 (0.54) KMT2AMEN1CREBBPEP300ALDH1A1

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-2022138812-A1 TETRAHYDRO THIENOPYRIDINE SULFONAMIDE COMPOUND モジュラス株式会社 2022-06-30 WO disclosed