SCHEMBL13683179

SCHEMBL13683179

Cc1ccc(C(=O)c2c(Cl)c(C)nn2C)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 5/20 0.44
▸ LMNA P02545 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ GALR3 O60755 1/20 0.44
▸ NR2F2 P24468 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALPL P05186 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ ALPG P10696 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
SCHEMBL13184407 0.82 KDM4E (0.42) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL13184408 0.80 HDAC1 (0.40) KDM4EALDH1A1SMN1; SMN2KMT2AHDAC1
SCHEMBL13683138 0.77 POLB (0.43) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL4400941 0.74 HDAC1 (0.64) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL16200409 0.71 BAZ2B (0.47) KDM4EALDH1A1KMT2ARAB9AHDAC1
SCHEMBL14043920 0.70 HDAC1 (0.44) KDM4EALDH1A1SMN1; SMN2KMT2AHDAC1
SCHEMBL2373838 0.69 KDM4E (0.62) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL3578797 0.69 KDM4E (0.62) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL13683137 0.69 HDAC1 (0.43) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL16200223 0.68 SMN1; SMN2 (0.41) ALDH1A1LMNASMN1; SMN2KMT2ARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 — — EP disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 — — US disclosed
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