SCHEMBL6624376

SCHEMBL6624376

COc1ccc(S(=O)(=O)NCCC2CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.62
HTT P42858 1/20 0.62
KMT2A Q03164 1/20 0.62
ALDH1A1 P00352 11/20 0.61
PKM P14618 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 1/20 0.53
MMP1 P03956 2/20 0.52
MMP3 P08254 2/20 0.52
MMP9 P14780 1/20 0.52
MMP13 P45452 1/20 0.52
ADAM17 P78536 1/20 0.52
MMP2 P08253 1/20 0.52
CYP19A1 P11511 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
SCHEMBL29183287 0.99 ALDH1A1 (0.63) USP2HTTKMT2AALDH1A1PKM
SCHEMBL29183284 0.92 ALDH1A1 (0.67) USP2HTTKMT2AALDH1A1PKM
SCHEMBL29183288 0.90 ALDH1A1 (0.68) USP2HTTKMT2AALDH1A1PKM
SCHEMBL29183291 0.86 ALDH1A1 (0.64) USP2HTTKMT2AALDH1A1PKM
SCHEMBL8030757 0.84 ALDH1A1 (0.65) KMT2AALDH1A1PKMSMN1; SMN2POLB
SCHEMBL6626965 0.84 ALDH1A1 (0.56) HTTKMT2AALDH1A1SMN1; SMN2
SCHEMBL6624495 0.82 ALDH1A1 (0.52) USP2HTTKMT2AALDH1A1SMN1; SMN2
SCHEMBL6624619 0.81 SIGMAR1 (0.57) HTTKMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL5649817 0.81 KMT2A (0.52) USP2HTTKMT2AALDH1A1SMN1; SMN2
SCHEMBL8391910 0.81 GBA1 (0.58) KMT2AALDH1A1PKMSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658945-A Synthesis method of persulfate-induced alkylation modified nitrogen heterocyclic compound 浙江工业大学 2024-03-08 CN disclosed
EP-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 EP disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed