SCHEMBL5601414

SCHEMBL5601414

CC1=c2ccccc2=C(Cc2ccccc2)[N]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.42
TAAR1 Q96RJ0 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
LTA4H P09960 1/20 0.35
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34
AOC3 Q16853 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
DAO P14920 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5602436 0.72 ACHE (0.39) LMNAALDH1A1TSHRMAPT
SCHEMBL5600944 0.69 TDP1 (0.41) MAPT
SCHEMBL5601432 0.68 L3MBTL1 (0.37) LMNAALDH1A1TSHRKDM4ENPC1
SCHEMBL5601403 0.68 KCNH2 (0.43) MAPT
SCHEMBL5601999 0.68 KCNH2 (0.43) MAPT
SCHEMBL5603886 0.67 CALM1 (0.41) CALM1TAAR1LMNAALDH1A1TSHR
SCHEMBL5602984 0.65 CALM1 (0.39) CALM1TAAR1ALDH1A1TSHRLTA4H
Diphenylmethane SCHEMBL27450549 0.64 CALM1 (0.86) CALM1TAAR1LMNAALDH1A1TSHR
SCHEMBL5600950 0.64 CALM1 (0.42) CALM1TAAR1HRH3LMNAALDH1A1
SCHEMBL5601343 0.64 CALM1 (0.42) CALM1TAAR1ALDH1A1TSHRLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed