SCHEMBL9424974

SCHEMBL9424974

COc1cc2nc(C#N)c(C(=O)O)c(OC)c2cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
USP8 P40818 1/20 0.39
USP7 Q93009 1/20 0.39
NSD2 O96028 5/20 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
SCHEMBL9424690 0.80 KDM4E (0.44) KDM4ETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7698174 0.76 PDE3B (0.47) KDM4EPDE3BPDE3AALOX15KMT2A
SCHEMBL28757799 0.70 CA12 (0.42) KDM4EPDE3BPDE3AALOX15KMT2A
SCHEMBL7702486 0.69 ALOX15 (0.57) KDM4EALOX15KMT2ASMN1; SMN2MEN1
SCHEMBL9424875 0.67 NUDT1 (0.56) SRCEGFRSMN1; SMN2
SCHEMBL31353608 0.67 SMN1; SMN2 (0.44) SRCKDM4ENSD2KMT2ASMN1; SMN2
SCHEMBL8643555 0.66 GABRA1 (0.43) KDM4EPDE3BPDE3AKMT2ASMN1; SMN2
SCHEMBL8495848 0.65 ALDH1A1 (0.47) KDM4EPDE3BPDE3AEGFRKMT2A
SCHEMBL2910842 0.65 ALOX15 (0.56) KDM4EPDE3BPDE3AALOX15KMT2A
SCHEMBL16038264 0.65 WHR1 (0.47) KDM4EPDE3BPDE3AALOX15POLB

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
US-5318963-A Heterocyclic hydrazide derivatives of monocyclic β-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1994-06-07 US disclosed
EP-0420069-A2 Heterocyclic hydrazide derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1991-04-03 EP disclosed