SCHEMBL10446624

SCHEMBL10446624

O=C(Nc1ccc(F)cc1F)N(Cc1ccccc1)C1CCSc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 6/20 0.43
▸ DCUN1D1 Q96GG9 6/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PPIA P62937 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
SCHEMBL10446801 0.85 RAB9A (0.46) UBE2MDCUN1D1RAB9APOLBALDH1A1
SCHEMBL10446671 0.83 P2RX3 (0.49) UBE2MDCUN1D1RAB9APOLBALDH1A1
SCHEMBL10446652 0.83 P2RX3 (0.47) UBE2MDCUN1D1RAB9APOLBALDH1A1
SCHEMBL10447111 0.75 UBE2M (0.49) UBE2MDCUN1D1RAB9APOLBALDH1A1
SCHEMBL10447112 0.75 UBE2M (0.49) UBE2MDCUN1D1RAB9APOLBALDH1A1
SCHEMBL9270701 0.75 UBE2M (0.53) UBE2MDCUN1D1RAB9APOLBPPARG
SCHEMBL9270367 0.74 UBE2M (0.52) UBE2MDCUN1D1RAB9APOLBHTT
SCHEMBL9270364 0.74 UBE2M (0.52) UBE2MDCUN1D1RAB9APOLBHTT
SCHEMBL10447146 0.73 PIN1 (0.46) UBE2MDCUN1D1RAB9AALDH1A1HTT
SCHEMBL10446628 0.73 UBE2M (0.49) UBE2MDCUN1D1RAB9APOLBALDH1A1

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-0399422-A1 Benzocycloalkane derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1990-11-28 — — EP disclosed
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