SCHEMBL10447111

SCHEMBL10447111

O=C(Nc1ccc(F)cc1F)N(Cc1ccccc1)C1CCOc2cc(Cl)ccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 11/20 0.49
▸ DCUN1D1 Q96GG9 11/20 0.49
▸ POLB P06746 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL10447112 0.93 UBE2M (0.49) UBE2MDCUN1D1POLBKMT2AKDM4E
SCHEMBL10447172 0.79 RAB9A (0.41) UBE2MDCUN1D1KMT2AKDM4ELMNA
SCHEMBL10446801 0.78 RAB9A (0.46) UBE2MDCUN1D1POLBKMT2ARAB9A
SCHEMBL10446671 0.76 P2RX3 (0.49) UBE2MDCUN1D1POLBKMT2ANPSR1
SCHEMBL10446624 0.75 UBE2M (0.43) UBE2MDCUN1D1POLBKMT2ARAB9A
SCHEMBL10446652 0.75 P2RX3 (0.47) UBE2MDCUN1D1POLBRAB9AALDH1A1
SCHEMBL10447056 0.73 UBE2M (0.51) UBE2MDCUN1D1POLBKMT2ARAB9A
SCHEMBL9270701 0.71 UBE2M (0.53) UBE2MDCUN1D1POLBRAB9A
SCHEMBL9270367 0.71 UBE2M (0.52) UBE2MDCUN1D1POLBRAB9ANPC1
SCHEMBL9270364 0.71 UBE2M (0.52) UBE2MDCUN1D1POLBRAB9ANPC1

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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