SCHEMBL8304062

SCHEMBL8304062

CC(C)=CCSc1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
METAP2 P50579 4/20 0.33
POLB P06746 2/20 0.32
TSHR P16473 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8300208 0.78 LMNA (0.39) LMNANPC1RAB9ATDP1L3MBTL1
SCHEMBL8300210 0.78 LMNA (0.39) LMNANPC1RAB9ATDP1L3MBTL1
SCHEMBL4156992 0.76 L3MBTL1 (0.40) LMNANPC1RAB9ATDP1L3MBTL1
SCHEMBL12156784 0.73 LMNA (0.49) LMNANPC1RAB9APOLBTSHR
SCHEMBL31061865 0.72
SCHEMBL8470578 0.72
SCHEMBL8299461 0.71 RAB9A (0.69) LMNANPC1RAB9ATDP1L3MBTL1
SCHEMBL8299459 0.71 RAB9A (0.69) LMNANPC1RAB9ATDP1L3MBTL1
SCHEMBL8300321 0.70 LMNA (0.39) LMNANPC1RAB9APOLBMAPT
SCHEMBL29010220 0.69 LMNA (0.41) LMNAPOLBTSHRKDM4EALDH1A1

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 10 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
CN-1043887-C Chemically resistant compounds, their preparation and use KIM NAK DOO (KR) 1999-06-30 CN 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
CN-1043887-C Chemically resistant compounds, their preparation and use KIM NAK DOO (KR) 1999-06-30 CN 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