SCHEMBL31389431

SCHEMBL31389431

O=C(NC(=S)Nc1cccc(OC(F)(F)F)c1Br)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 5/20 0.52
▸ ALDH1A1 P00352 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ALOX12 P18054 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ KCNH2 Q12809 1/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL31389479 0.80 EPHX1 (0.59) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL17610028 0.79 ALDH1A1 (0.59) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL31389658 0.78 L3MBTL1 (0.47) ALDH1A1MAPTMEN1KMT2AALOX12
SCHEMBL31389407 0.77 EPHX1 (0.76) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6118209 0.76 EPHX1 (0.78) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3050543 0.75 EPHX1 (0.69) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL15391362 0.75 MLYCD (0.57) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL21712210 0.75 EPHX1 (0.61) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL30521582 0.75 EPHX1 (0.61) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5455469 0.74 ALDH1A1 (0.80) EPHX1ALDH1A1MAPTMEN1KMT2A

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-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 — — WO disclosed
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