SCHEMBL24824867

SCHEMBL24824867

CCn1cc(Cl)c2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.44
CYP19A1 P11511 4/20 0.42
KCNH2 Q12809 5/20 0.41
MAPT P10636 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL15704199 0.84 CACNB4 (0.41) CYP19A1MAPTKDM4EALDH1A1LMNA
SCHEMBL16727205 0.84 PTGER4 (0.43) PTGER4CYP19A1KCNH2MAPTCYP2C19
SCHEMBL18015838 0.82 KCNH2 (0.56) PTGER4CYP19A1KCNH2MAPTCYP2C19
SCHEMBL13153267 0.82 PTGER4 (0.42) PTGER4CYP19A1KCNH2MAPTCYP2C19
SCHEMBL24823829 0.82 CYP19A1 (0.43) CYP19A1KCNH2MAPTL3MBTL1KDM4E
SCHEMBL15701668 0.80 RORA (0.38) CYP19A1MAPTCYP2C19HTR6CNR1
SCHEMBL10095354 0.78 SMN1; SMN2 (0.50) TDP1KDM4EALDH1A1HSD17B10RAB9A
SCHEMBL22450720 0.78 PTGER4 (0.52) PTGER4CYP19A1KCNH2MAPTTDP1
SCHEMBL24182136 0.77 KCNH2 (0.56) PTGER4CYP19A1KCNH2MAPTCYP2C19
SCHEMBL22450724 0.77 KCNH2 (0.56) PTGER4KCNH2KDM4EALDH1A1LMNA

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-2022272060-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 WO disclosed