SCHEMBL8992604

SCHEMBL8992604

CCCCCCCCCON(CCC)CCCN

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
EPHX1 P07099 1/20 0.44
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
CA9 Q16790 6/20 0.34
CA12 O43570 3/20 0.34
CA7 P43166 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 2/20 0.34

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
SCHEMBL11237923 1.00 DNM1 (0.44) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL19282738 1.00 DNM1 (0.44) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL10908549 1.00 DNM1 (0.44) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL19282723 1.00 DNM1 (0.44) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL19282731 1.00 DNM1 (0.44) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL19282734 1.00 DNM1 (0.44) DNM1MEN1KMT2AALDH1A1TSHR
Bromide SCHEMBL28992301 0.98 DNM1 (0.46) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL9807774 0.94 DNM1 (0.46) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL9807767 0.89 DNM1 (0.44) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL2352064 0.88 DNM1 (0.42) DNM1MEN1KMT2AALDH1A1TSHR

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-5538653-A ADDING A REACTION PRODUCT OF A NITROGEN HETEROCYCLE, AN AMINE, A DICARBONYL COMPOUND AND, OPTIONALLY, A CARBOXYL COMPOUND MOBIL OIL CORPORATION (US) 1996-07-23 US claimed
US-5482521-A REACTION PRODUCT OF TRIAZOLE COMPOUND, CARBONYL COMPOUND, AMINE AND CARBOXYLIC ACID MOBIL OIL CORPORATION (US) 1996-01-09 US claimed