SCHEMBL31325828

SCHEMBL31325828

CC[N+](CC)(Cc1ccc(N)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.45
MAOA P21397 3/20 0.45
TDP1 Q9NUW8 4/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 3/20 0.37
TSHR P16473 2/20 0.37
GFER P55789 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DNM1 Q05193 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL28385299 0.86 KDM4E (0.48) TDP1ALDH1A1KDM4ECYP1A2DNM1
Bromide SCHEMBL11785608 0.84 DNM1 (0.47) TDP1ALDH1A1KDM4ECYP1A2DNM1
Fluoride SCHEMBL28344210 0.84 KDM4E (0.46) TDP1ALDH1A1KDM4ECYP1A2DNM1
Hydrochloric Acid SCHEMBL11245196 0.84 KDM4E (0.52) TDP1ALDH1A1KDM4ECYP1A2DNM1
Water SCHEMBL9686085 0.84 KDM4E (0.46) TDP1ALDH1A1KDM4ECYP1A2DNM1
SCHEMBL31325832 0.83 LMNA (0.39) TDP1ALDH1A1TSHRKDM4EL3MBTL1
Fluoride Ion SCHEMBL8153068 0.82 KDM4E (0.45) TDP1ALDH1A1KDM4ECYP1A2DNM1
Fluoride Ion SCHEMBL8153065 0.82 KDM4E (0.45) TDP1ALDH1A1KDM4ECYP1A2DNM1
Fluoride Ion SCHEMBL5371566 0.82 KDM4E (0.45) TDP1ALDH1A1KDM4ECYP1A2DNM1
SCHEMBL31325824 0.81 FNTA (0.44) TDP1ALDH1A1CYP3A4TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025018368-A1 ADHESIVE COMPOSITION, ADHESIVE FILM FOR CIRCUIT CONNECTION, CONNECTED STRUCTURE, AND METHOD FOR PRODUCING CONNECTED STRUCTURE 株式会社レゾナック 2025-01-23 WO disclosed