SCHEMBL27750511

SCHEMBL27750511

O=C1CCCN1N1CCCc2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.46
NOTUM Q6P988 2/20 0.45
HDAC1 Q13547 5/20 0.45
HDAC6 Q9UBN7 5/20 0.45
HDAC8 Q9BY41 3/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
AVPR2 P30518 3/20 0.42
KMT2A Q03164 2/20 0.41
AVPR1A P37288 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1576330 0.74 HPGD (0.51) SRD5A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL27946472 0.73 AVPR1A (0.39) SRD5A1NOTUMHDAC1HDAC6HDAC8
SCHEMBL7257921 0.73 NOTUM (0.46) SRD5A1NOTUMHDAC1HDAC6HDAC8
SCHEMBL2616322 0.73 MEN1 (0.58) SRD5A1NOTUMHDAC1HDAC6HDAC8
SCHEMBL14473207 0.73 NOTUM (0.46) SRD5A1NOTUMHDAC1HDAC6HDAC8
SCHEMBL13993091 0.72 NOTUM (0.46) SRD5A1NOTUMHDAC1HDAC6HDAC8
SCHEMBL4524596 0.71 SMN1; SMN2 (0.46) NOTUMKMT2APOLBSMN1; SMN2MEN1
SCHEMBL3948225 0.71 HDAC1 (0.61) NOTUMHDAC1HDAC6HDAC8HDAC3
SCHEMBL5547425 0.71 HDAC1 (0.61) NOTUMHDAC1HDAC6HDAC8HDAC3
SCHEMBL9843864 0.71 NOTUM (0.56) SRD5A1NOTUMHDAC1HDAC6HDAC8

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
CN-101365686-A Heterocyclic derivatives as modulators of ion channels VERTEX PHARMA (US) 2009-02-11 CN disclosed