SCHEMBL9879609

SCHEMBL9879609

Cc1cccc(N(C)CCCS(=O)(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.49
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GPX4 P36969 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ GLA P06280 2/20 0.40
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ ICMT O60725 1/20 0.37

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
SCHEMBL9487613 0.86 CYP1A2 (0.43) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL18292228 0.85 HTR7 (0.51) HTR7ALDH1A1MTNR1AMTNR1BHSD17B1
SCHEMBL27960646 0.85 CYP1A2 (0.42) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL186733 0.82 CYP1A2 (0.51) ALDH1A1TP53LMNAMEN1KMT2A
SCHEMBL29387582 0.82 CYP1A2 (0.51) ALDH1A1TP53LMNAMEN1KMT2A
SCHEMBL6310447 0.82 CA12 (0.47) HTR7MEN1KMT2A
SCHEMBL396919 0.82 ALDH1A1 (0.43) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL11139614 0.82 HTR7 (0.56) HTR7ALDH1A1TP53NPC1GPX4
SCHEMBL5525904 0.81 CYP1A2 (0.50) ALDH1A1TP53LMNAMEN1KMT2A
SCHEMBL30848155 0.81 CYP1A2 (0.50) ALDH1A1TP53LMNAMEN1KMT2A

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
WO-2016193912-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF NOVARTIS AG (CH) 2016-12-08 — — WO disclosed
CN-101166831-B Method for measuring cholesterol in high-density lipoprotein KYOWA MEDEX CO LTD 2011-07-20 — — CN disclosed
CN-101166831-A Method for measuring cholesterol in high-density lipoprotein KYOWA MEDEX CO LTD (JP) 2008-04-23 — — CN disclosed
US-5047329-A Method for the measurement of creatine or creatinine and reagents for these measurements NODA INSTITUTE FOR SCIENTIFIC RESEARCH (JP) 1991-09-10 — — US disclosed
US-3971769-A NATURAL AND SYNTHETIC POLYAMIDES, CELLULOSE ACETATE CROMPTON & KNOWLES CORPORATION (US) 1976-07-27 — — US disclosed
Send feedback