SCHEMBL31741908

SCHEMBL31741908

O=C1Oc2ccccc2C(=O)C1=CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 8/20 1.00
▸ DUSP22 Q9NRW4 1/20 0.44
▸ AMY1A P0DUB6 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ BCL2 P10415 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MIF P14174 1/20 0.40
▸ AKR1B1 P15121 1/20 0.39

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
SCHEMBL4347746 0.81 SOS1 (0.78) SOS1TDP1ALDH1A1CYP1A2CYP3A4
SCHEMBL4347750 0.81 SOS1 (0.78) SOS1TDP1ALDH1A1CYP1A2CYP3A4
SCHEMBL17762591 0.79 SOS1 (0.69) SOS1ALDH1A1
SCHEMBL4914275 0.79 SOS1 (0.66) SOS1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4347026 0.79 SOS1 (0.66) SOS1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17762644 0.78 SOS1 (0.64) SOS1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17762592 0.73 SOS1 (0.58) SOS1TDP1ALDH1A1CYP1A2CYP3A4
SCHEMBL19498888 0.70 MEN1 (0.68) TDP1ALDH1A1
SCHEMBL6785097 0.69 SOS1 (0.63) SOS1DUSP22AMY1APTPN1DPP4
SCHEMBL6785099 0.69 SOS1 (0.63) SOS1DUSP22AMY1APTPN1DPP4

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-4659812-A1 DETECTION METHODS AND COMBINATION THERAPIES OF CELLS WITH EXTRACELLULAR RAS EXPRESSION Bumm, Thomas (DE) 2025-12-10 — — EP disclosed
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