Trimethylammonium

Trimethylammonium

SCHEMBL8994460

C1=CC2=C(c3ccccc3)C3=NC(=C(c4ccccc4)C4=NC(=C(c5ccccc5)C5=NC(=C(c6ccccc6)C1=N2)C=C5)C=C4)C=C3.CN(C)C

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PDE4B Q07343 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
MAPK1 P28482 1/20 0.30
NUDT1 P36639 1/20 0.30

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
SCHEMBL27979361 0.90 ALDH1A1 (0.35) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7996476 0.90 ALDH1A1 (0.35) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL14562749 0.90 ALDH1A1 (0.35) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL28807262 0.90 ALDH1A1 (0.35) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL28180007 0.90 ALDH1A1 (0.35) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2517442 0.90 ALDH1A1 (0.35) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3912294 0.85 NPC1 (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3913647 0.85 NPC1 (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL28062944 0.84 ALDH1A1 (0.31) NPC1RAB9AALDH1A1MAPK1
SCHEMBL6081450 0.84 GSK3B (0.44) GSK3B

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
EP-0501515-B1 Optical recording material TORAY INDUSTRIES (JP) 1996-08-21 EP claimed
US-5306599-A Optical recording material TORAY INDUSTRIES, INC. (JP) 1994-04-26 US claimed
EP-0501515-A1 Optical recording material TORAY INDUSTRIES, INC. (JP) 1992-09-02 EP claimed
US-5051337-A Optical recording material DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1991-09-24 US claimed
US-5051337-A Optical recording material DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1991-09-24 US disclosed