SCHEMBL13067705

SCHEMBL13067705

CCCCCCC(C#N)CCCC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.48
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
OPRM1 P35372 1/20 0.40
CA2 P00918 1/20 0.40
FDPS P14324 4/20 0.38
GPR84 Q9NQS5 3/20 0.38
SPHK1 Q9NYA1 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL13763312 1.00 DNM1 (0.48) DNM1TSHRLMNATHRBOPRM1
SCHEMBL22625454 1.00 DNM1 (0.48) DNM1TSHRLMNATHRBOPRM1
SCHEMBL366647 0.97 TSHR (0.46) DNM1TSHRLMNATHRBOPRM1
SCHEMBL985792 0.97 TSHR (0.46) DNM1TSHRLMNATHRBOPRM1
SCHEMBL10155552 0.97 TSHR (0.46) DNM1TSHRLMNATHRBOPRM1
SCHEMBL24044418 0.97 TSHR (0.46) DNM1TSHRLMNATHRBOPRM1
SCHEMBL15211724 0.97 TSHR (0.46) DNM1TSHRLMNATHRBOPRM1
SCHEMBL13601912 0.97 TSHR (0.46) DNM1TSHRLMNATHRBOPRM1
SCHEMBL12844942 0.97 TSHR (0.46) DNM1TSHRLMNATHRBOPRM1
SCHEMBL4745188 0.97 TSHR (0.46) DNM1TSHRLMNATHRBOPRM1

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
WO-2010129053-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-11-11 WO disclosed