SCHEMBL7078495

SCHEMBL7078495

CC#CN(C)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TSHR P16473 3/20 0.54
AOC3 Q16853 1/20 0.50
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PYCR1 P32322 1/20 0.47
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 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
Hydrochloric Acid SCHEMBL27661297 0.98 ALDH1A1 (0.52) ALDH1A1TSHRAOC3LMNAUSP2
SCHEMBL1176956 0.79 TAAR1 (0.57) AOC3ADRA2BADRA2CHTR2ATAAR1
SCHEMBL447668 0.77 ALDH1A1 (0.46) ALDH1A1TSHRAOC3LMNAUSP2
SCHEMBL967208 0.76 TSHR (0.56) ALDH1A1TSHRAOC3LMNAUSP2
SCHEMBL3239634 0.76 ALDH1A1 (0.56) ALDH1A1TSHRAOC3LMNAUSP2
SCHEMBL3267766 0.76 MAOB (0.59) ALDH1A1TSHRAOC3LMNAUSP2
SCHEMBL1794143 0.76 ALDH1A1 (0.56) ALDH1A1TSHRAOC3LMNAUSP2
SCHEMBL1557311 0.76 ALDH1A1 (0.61) ALDH1A1TSHRAOC3LMNAUSP2
SCHEMBL14022799 0.71 PYCR1 (0.68) ALDH1A1TSHRAOC3LMNAUSP2
SCHEMBL24735547 0.71 TSHR (1.00) ALDH1A1TSHRAOC3LMNAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1323753-A1 Self-adhesive cationic or amphoteric radical polymers and their use in cosmetic L'OREAL (FR) 2003-07-02 EP claimed
EP-0362695-B1 PYRROLOCARBAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS GÖDECKE AKTIENGESELLSCHAFT (DE) 1991-04-03 EP claimed
EP-1323753-A1 Self-adhesive cationic or amphoteric radical polymers and their use in cosmetic L'OREAL (FR) 2003-07-02 EP disclosed
US-5008292-A Pesticidal method CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1991-04-16 US disclosed