SCHEMBL8299459

SCHEMBL8299459

C(=C/c1ccccc1)\CSc1cnccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.69
NPC1 O15118 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
TSHR P16473 4/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 5/20 0.50
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HTT P42858 1/20 0.43
NPBWR1 P48145 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MCHR1 Q99705 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL8299461 1.00 RAB9A (0.69) RAB9ANPC1L3MBTL1TDP1TSHR
SCHEMBL10715337 0.81 L3MBTL1 (1.00) RAB9ANPC1L3MBTL1TDP1TSHR
SCHEMBL28462526 0.81 L3MBTL1 (1.00) RAB9ANPC1L3MBTL1TDP1TSHR
SCHEMBL8300210 0.74 LMNA (0.39) RAB9ANPC1L3MBTL1TDP1TSHR
SCHEMBL8300208 0.74 LMNA (0.39) RAB9ANPC1L3MBTL1TDP1TSHR
SCHEMBL13610415 0.74 MAPT (0.46) RAB9ANPC1L3MBTL1TDP1TSHR
SCHEMBL31099121 0.73 CYP11B1 (0.47) RAB9ANPC1L3MBTL1TDP1TSHR
SCHEMBL2123171 0.73 HSD17B10 (0.53) RAB9ANPC1MAPTALDH1A1HSD17B10
SCHEMBL4156992 0.72 L3MBTL1 (0.40) RAB9ANPC1L3MBTL1TDP1TSHR
SCHEMBL8304062 0.71 LMNA (0.40) RAB9ANPC1L3MBTL1TDP1TSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674628-B1 CHEMOPREVENTIVE COMPOUNDS AND A PREPARATION METHOD AND USE THEREOF KIM NAK DOO (KR) 1999-12-22 EP claimed
US-5658913-A THIOPYRAZINE DERIVATIVES; ENZYME INHIBITOR OF PHASE 1 REACTION TO PREVENT THE FORMATION OF ACTIVATED TOXIC INTERMEDIATE METABOLITES AND INDUCE PHASE LL CONJUGATION REACTIONS TO PROMOTE EXCRETION OF TOXICS Kim, Nak Doo (KR) 1997-08-19 US claimed
EP-0674628-A1 NEW CHEMOPREVENTIVE COMPOUNDS AND A PREPARATION METHOD AND USE THEREOF Kim, Nak Doo (KR) 1995-10-04 EP claimed
WO-1995011236-A1 NEW CHEMOPREVENTIVE COMPOUNDS AND A PREPARATION METHOD AND USE THEREOF CHUNG, WON, KEUN (KR) 1995-04-27 WO claimed
EP-0674628-B1 CHEMOPREVENTIVE COMPOUNDS AND A PREPARATION METHOD AND USE THEREOF KIM NAK DOO (KR) 1999-12-22 EP disclosed
US-5658913-A THIOPYRAZINE DERIVATIVES; ENZYME INHIBITOR OF PHASE 1 REACTION TO PREVENT THE FORMATION OF ACTIVATED TOXIC INTERMEDIATE METABOLITES AND INDUCE PHASE LL CONJUGATION REACTIONS TO PROMOTE EXCRETION OF TOXICS Kim, Nak Doo (KR) 1997-08-19 US disclosed
EP-0674628-A1 NEW CHEMOPREVENTIVE COMPOUNDS AND A PREPARATION METHOD AND USE THEREOF Kim, Nak Doo (KR) 1995-10-04 EP disclosed
WO-1995011236-A1 NEW CHEMOPREVENTIVE COMPOUNDS AND A PREPARATION METHOD AND USE THEREOF CHUNG, WON, KEUN (KR) 1995-04-27 WO disclosed