SCHEMBL18601889

SCHEMBL18601889

CCCCN(N)c1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
TLR8 Q9NR97 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 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
SCHEMBL18535318 0.94 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL1324109 0.82 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19MAPTTDP1
Hydrochloric Acid SCHEMBL4663787 0.81 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19MAPTTDP1
SCHEMBL11320774 0.81 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19MAPTTDP1
SCHEMBL18602019 0.81 CYP3A4 (0.33) CYP1A2CYP2C9CYP2C19TDP1ALDH1A1
SCHEMBL24426489 0.80 KCNH2 (0.43) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL25453791 0.79 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19MAPTTDP1
SCHEMBL29137135 0.79 HTR1A (0.40) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL2229681 0.77 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL24405784 0.77 MAPT (0.35) CYP1A2CYP2C19MAPTTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234609-B1 METHODS FOR PURIFICATION, DETECTION AND QUANTIFICATION OF RESIDUAL PEI-BASED TRANSFECTION REAGENTS POLYPLUS TRANSFECTION (FR) 2024-07-17 EP disclosed
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed