SCHEMBL10439085

SCHEMBL10439085

Cc1cc(C)c2nc(CCCCl)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ POLB P06746 2/20 0.41
▸ ESR1 P03372 1/20 0.38
▸ HRH4 Q9H3N8 3/20 0.37
▸ CACNA1H O95180 1/20 0.36
▸ PARP1 P09874 2/20 0.36
▸ PARP4 Q9UKK3 1/20 0.36
▸ PRKCZ Q05513 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL19342748 0.82 KDM4E (0.44) KMT2APOLBESR1CACNA1HPARP1
SCHEMBL4363219 0.78 GAA (0.43) KMT2APOLBESR1PARP1PARP4
SCHEMBL13908159 0.78 CACNA1H (0.53) KMT2APOLBESR1HRH4CACNA1H
SCHEMBL10439086 0.75 KMT2A (0.43) KMT2APOLBPDE10AMEN1PKM
SCHEMBL11749738 0.74 GAA (0.40) KMT2APOLBESR1PARP1PARP4
SCHEMBL26260442 0.74 PARP1 (0.43) KMT2APOLBESR1HRH4PARP1
SCHEMBL11316545 0.71 PGK1 (0.42) KMT2APOLBESR1PARP1PARP4
SCHEMBL4283192 0.71 ESR1 (0.41) ESR1HRH4PARP1NPC1RAB9A
SCHEMBL10146528 0.70 PARP1 (0.56) ESR1PARP1SMN1; SMN2
SCHEMBL5679402 0.67 NUDT1 (0.51) KMT2APOLBESR1PARP1SMN1; SMN2

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-0393574-A2 Hexitol derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-24 — — EP disclosed
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