SCHEMBL5315293

SCHEMBL5315293

CC(=O)NCc1ccc(C#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.60
EPHX2 P34913 1/20 0.59
KMT2A Q03164 2/20 0.58
HDAC1 Q13547 2/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
EGLN2 Q96KS0 1/20 0.52
SETDB1 Q15047 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2A6 P11509 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
MMP2 P08253 1/20 0.47

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
SCHEMBL12133623 0.84 KMT2A (0.76) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL6444359 0.83 LOXL2 (0.57) LOXL2EPHX2HDAC1SAE1UBA2
SCHEMBL1695664 0.83 LOXL2 (0.57) LOXL2EPHX2SAE1UBA2CYP19A1
SCHEMBL3497836 0.83 KMT2A (0.59) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL22275683 0.83 EPHX2 (0.54) LOXL2EPHX2KMT2ASAE1UBA2
SCHEMBL24897168 0.82 KDM4E (0.64) ALDH1A1POLBMAPTRAB9A
SCHEMBL19049390 0.82 LOXL2 (0.56) LOXL2EPHX2KMT2ARAB9ASAE1
SCHEMBL5317088 0.81 EPHX2 (0.55) LOXL2EPHX2HDAC1SAE1UBA2
SCHEMBL22250101 0.81 EPHX2 (0.55) LOXL2EPHX2HDAC1SAE1UBA2
SCHEMBL6563716 0.81 CYP2C9 (0.59) LOXL2EPHX2SAE1UBA2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280707-B1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-12-20 EP claimed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
EP-2897940-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-05-01 EP disclosed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed