SCHEMBL9444579

SCHEMBL9444579

COCCOCCOc1cscc1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 8/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2A6 P11509 1/20 0.33
KDM1A O60341 1/20 0.32
NCF1 P14598 2/20 0.32
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 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
SCHEMBL9444538 0.94 CYP2A6 (0.35) L3MBTL1CYP2A6KDM1APOLBTSHR
SCHEMBL19578520 0.88 L3MBTL1 (0.38) KDM4ERECQLL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL28802816 0.88 L3MBTL1 (0.38) KDM4ERECQLL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9278157 0.78 KDM1A (0.35) L3MBTL1ALDH1A1KDM1APOLBNPC1
SCHEMBL22726955 0.76 MAPT (0.40) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL9444609 0.75 CYP2C9 (0.41) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL12101527 0.75 HTR1B (0.39) KDM4ECYP2A6
SCHEMBL27776 0.75 CYP2A6 (0.32) CYP2A6
SCHEMBL10349000 0.73 L3MBTL1 (0.46) KDM4EL3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL29161152 0.73 CYP2A6 (0.31) CYP2A6

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
US-5225109-A ELECTRICALLY CONDUCTING POLYMERS AND THEIR PREPARATION HOECHST AG (DE) 1993-07-06 US disclosed
US-5098529-A ELECTROCHEMICAL PROCESS FOR THE PRODUCTION OF ELECTRICALLY CONDUCTING POLY(ALKOXYTHIOPHENES) WITH CARBOXYLIC ACIDS ADDED HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-24 US disclosed
EP-0416571-A2 Process for the electrochemical preparation, with the addition of carboxylic acids, of electroconductive poly (alkoxythiophenes) HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-13 EP disclosed
EP-0416570-A2 Process for the electrochemical preparation, with the addition of Brönsted acids, of electroconductive poly(alkoxythiophenes) HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-13 EP disclosed
EP-0328982-A1 Electrically conductive polymers and their production HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP disclosed