SCHEMBL16587770

SCHEMBL16587770

CCC(=O)NCc1ccc(C(C)(C)C)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
MAPK1 P28482 1/20 0.38
FYN P06241 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL16472505 0.84 MAPT (0.47) LMNAKMT2ARAB9AKDM4EALDH1A1
SCHEMBL13024397 0.80 MAPT (0.46) LMNAMEN1KMT2ARAB9AKDM4E
SCHEMBL12993441 0.76 EPHX2 (0.59) LMNAMEN1KMT2ARAB9AALDH1A1
SCHEMBL3202382 0.75 LMNA (0.53) LMNAMEN1KMT2ARAB9AKDM4E
SCHEMBL12424191 0.75 NPC1 (0.40) RAB9AALDH1A1MAPTEPHX2NR1H4
SCHEMBL21766773 0.75 RORC (0.47) MEN1KMT2AALDH1A1
SCHEMBL2133620 0.74 LMNA (0.52) LMNAMEN1KMT2ARAB9AALDH1A1
SCHEMBL14075263 0.73 POLB (0.41) LMNAMEN1KMT2ARAB9AKDM4E
SCHEMBL829871 0.73 TSHR (0.36) LMNARAB9AKDM4EALDH1A1POLB
SCHEMBL22255134 0.72 NAMPT (0.49) LMNAMEN1KMT2ARAB9AKDM4E

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
US-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed