SCHEMBL9458073

SCHEMBL9458073

CCCCCCCN(N)C(=N)C(=N)N(N)CCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
DNM1 Q05193 7/20 0.44
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 3/20 0.38
THRB P10828 1/20 0.38
GBA1 P04062 1/20 0.38
MGLL Q99685 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL9290902 0.84 SPHK2 (0.48) SPHK2SPHK1DNM1CA12CA1
SCHEMBL27591516 0.84 SPHK2 (0.48) SPHK2SPHK1DNM1CA12CA1
SCHEMBL3093556 0.84 SPHK2 (0.48) SPHK2SPHK1DNM1CA12CA1
SCHEMBL4574081 0.81 SPHK2 (0.44) SPHK2SPHK1DNM1CA12CA1
SCHEMBL5711697 0.79 SPHK2 (0.38) SPHK2SPHK1DNM1CA12CA1
Hydrochloric Acid SCHEMBL4575154 0.79 SPHK2 (0.43) SPHK2SPHK1DNM1CA12CA1
Iodide SCHEMBL5325538 0.79 SPHK2 (0.43) SPHK2SPHK1DNM1CA12CA1
SCHEMBL28841120 0.76 SPHK1 (0.41) SPHK2SPHK1DNM1CA12CA1
SCHEMBL5361611 0.74 GPR84 (0.44) DNM1TSHRALDH1A1MEN1KMT2A
SCHEMBL10878603 0.74 GPR84 (0.44) DNM1TSHRALDH1A1MEN1KMT2A

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-5204311-A Yellow colored coordination compounds of transition metals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-04-20 US disclosed
EP-0531020-A1 Ethanediimidic acid bis arylalkylidene)hydrazide MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-03-10 EP disclosed