SCHEMBL8052573

SCHEMBL8052573

CCCCCCCCCCCCCCONCCCN

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
EPHX1 P07099 1/20 0.48
RELA Q04206 4/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41

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
SCHEMBL8048707 1.00 DNM1 (0.48) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL10994155 1.00 DNM1 (0.48) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL8050512 1.00 DNM1 (0.48) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL9013813 1.00 DNM1 (0.48) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL28670191 0.92 DNM1 (0.48) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL277976 0.92 DNM1 (0.48) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL28050825 0.90 RELA (0.49) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL28201978 0.87 CA1 (0.40) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL16143788 0.87 EPHX1 (0.46) ALDH1A1TSHREPHX1CA1CA2
SCHEMBL10705860 0.87 EPHX1 (0.46) ALDH1A1TSHREPHX1CA1CA2

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-6165952-A Ashless rust inhibitor lubricant compositions KING INDUSTRIES, INC. (US) 2000-12-26 US claimed
US-6165952-A Ashless rust inhibitor lubricant compositions KING INDUSTRIES, INC. (US) 2000-12-26 US disclosed