SCHEMBL9466142

SCHEMBL9466142

C1=CC(c2nnc(-c3ccccc3)s2)=N[N]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
HSD17B1 P14061 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
THRB P10828 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CA12 O43570 1/20 0.35

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
SCHEMBL17948201 0.78 ALDH1A1 (0.57) ALDH1A1POLBS1PR1S1PR3CA1
SCHEMBL9018567 0.78 ALDH1A1 (0.61) ALDH1A1POLBS1PR1S1PR3CA1
SCHEMBL1065840 0.76 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2213286 0.76 ALDH1A1 (0.59) ALDH1A1POLBS1PR1S1PR3CA1
SCHEMBL9465604 0.75 NPC1 (0.48) ALDH1A1HSD17B1NPC1RAB9AHDAC1
SCHEMBL9465649 0.72 PTGDR2 (0.41) ALDH1A1POLBKDM4ESMN1; SMN2MEN1
SCHEMBL9465030 0.71 SREBF2 (0.55) ALDH1A1POLBNPC1RAB9AGAA
SCHEMBL9464656 0.71 SREBF2 (0.55) ALDH1A1POLBNPC1RAB9AGAA
SCHEMBL10000273 0.71 ALDH1A1 (0.62) ALDH1A1POLBS1PR1S1PR3CA1
SCHEMBL10024816 0.71 GAA (0.62) ALDH1A1POLBHSD17B1NPC1RAB9A

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-5246914-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed