SCHEMBL23293554

SCHEMBL23293554

C=C(OCC)c1ncc(F)cn1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.32
▸ AGBL2 Q5U5Z8 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ APLNR P35414 1/20 0.31
▸ CDC7 O00311 1/20 0.30
▸ DBF4 Q9UBU7 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ CXCR1 P25024 1/20 0.30
▸ CXCR2 P25025 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
SCHEMBL17827879 0.84 APLNR (0.39) DGAT1MAPTCYP2C9CYP2C19NPSR1
SCHEMBL17819533 0.81 CDC7 (0.32) DGAT1MAPTCDC7DBF4ALDH1A1
SCHEMBL17827878 0.81 CDC7 (0.36) DGAT1MAPTMEN1CYP1A2CYP2C9
SCHEMBL13278170 0.81 NQO1 (0.38) DGAT1MAPTLMNACYP1A2KMT2A
SCHEMBL22265136 0.80 POLB (0.45) AGBL2POLBMAPTMEN1KMT2A
SCHEMBL17819458 0.79 PDXK (0.34) DGAT1CDC7DBF4
SCHEMBL4550628 0.78 BRD4 (0.39) POLBMAPTMEN1LMNACYP1A2
SCHEMBL16036688 0.77 APLNR (0.36) DGAT1POLBMAPTMEN1LMNA
SCHEMBL25405412 0.74 THRB (0.41) AGBL2MAPTMEN1CYP2C9CYP2C19
SCHEMBL17819794 0.73 ALDH1A1 (0.42) POLBMAPTLMNACYP1A2CYP2C19

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
EP-3814326-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-05-05 — — EP disclosed
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