SCHEMBL31750140

SCHEMBL31750140

CCOC(=O)Cc1c(Cl)ccc2c1c(N=C(c1ccccc1)c1ccccc1)nn2C1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TBXAS1 P24557 2/20 0.31

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
SCHEMBL31750777 0.84 RXRA (0.36) DGAT2ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL31750490 0.82 RXRA (0.35) DGAT2ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL31751088 0.81 RXRA (0.35) DGAT2ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL31750477 0.80 KDM4E (0.36) DGAT2ALDH1A1KDM4EHSD17B10RXRA
SCHEMBL31393226 0.75 DGAT2 (0.36) DGAT2RXRARXRBRXRGCYP4F2
SCHEMBL31750142 0.75 RXRA (0.44) DGAT2ALDH1A1KDM4ETSHRRXRA
SCHEMBL31585717 0.72 CYP4F2 (0.37) DGAT2RXRARXRBRXRGGAA
SCHEMBL31750483 0.71 RXRA (0.33) DGAT2ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL31750482 0.71 RXRA (0.42) ALDH1A1KDM4ETSHRRXRARXRB
SCHEMBL16052480 0.71 YTHDC1 (0.35) DGAT2

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-2025262250-A1 GUANFACINE DERIVATIVES AND THEIR USES NEGIO THERAPEUTICS (BE) 2025-12-26 — — WO disclosed
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