SCHEMBL19675985

SCHEMBL19675985

CNc1cccc(NC(=O)CN(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
NR4A1 P22736 1/20 0.50
RAB9A P51151 1/20 0.50
MAP4K4 O95819 1/20 0.49
NPY5R Q15761 2/20 0.49
TNKS O95271 1/20 0.49
PARP1 P09874 1/20 0.49
PARP15 Q460N3 1/20 0.49
PARP14 Q460N5 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP12 Q9H0J9 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
PARP4 Q9UKK3 1/20 0.49
PARP3 Q9Y6F1 1/20 0.49
MAPT P10636 1/20 0.49
CCNT1 O60563 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
CDK9 P50750 1/20 0.48

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
SCHEMBL14621608 0.86 KMT2A (0.51) POLBNR4A1RAB9AMAPTMEN1
SCHEMBL13489787 0.84 KMT2A (0.46) POLBNR4A1RAB9AMAPTMEN1
SCHEMBL13102519 0.83 HPGD (0.62) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL13489789 0.83 KMT2A (0.49) POLBNR4A1RAB9AMAPTMEN1
SCHEMBL13490046 0.83 ALDH1A1 (0.51) POLBRAB9AMAPTMEN1KMT2A
SCHEMBL14622121 0.83 POLB (0.46) POLBNR4A1RAB9AMAPTMEN1
SCHEMBL27823199 0.83 POLB (0.46) POLBNR4A1RAB9AMAP4K4NPY5R
SCHEMBL1356705 0.82 MAP4K4 (0.48) POLBNR4A1RAB9AMAP4K4NPY5R
SCHEMBL2337206 0.82 ALDH1A1 (0.60) POLBMAP4K4NPY5RTNKSPARP1
SCHEMBL3686435 0.82 KMT2A (0.61) POLBRAB9AMAPTMEN1KMT2A

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-2840080-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2017-12-06 EP disclosed