SCHEMBL9035007

SCHEMBL9035007

N=C(NN)c1cc(=O)c2cc(NC(=O)CCCCCCCCc3ccccc3)ccc2o1.N=C(NN)c1cc(=O)c2cccc(NC(=O)CCCCCCCCc3ccccc3)c2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.49
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM1A O60341 1/20 0.40
POLB P06746 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL6951992 0.92 KDM1A (0.46) NPC1RAB9AKDM1APOLBHDAC1
SCHEMBL6956919 0.92 GPR35 (0.57) GPR35CYSLTR2CYSLTR1HDAC1HDAC2
SCHEMBL6951132 0.92 GPR35 (0.57) GPR35CYSLTR2CYSLTR1HDAC1HDAC2
SCHEMBL6955311 0.92 KDM1A (0.46) NPC1RAB9AKDM1APOLBHDAC1
SCHEMBL6958010 0.86 GPR35 (0.60) GPR35CYSLTR2CYSLTR1NPC1RAB9A
SCHEMBL6952499 0.81 GPR35 (0.57) GPR35CYSLTR2CYSLTR1SMN1; SMN2
SCHEMBL6951328 0.81 GPR35 (0.57) GPR35CYSLTR2CYSLTR1SMN1; SMN2
SCHEMBL6963052 0.80 SMN1; SMN2 (0.48) NPC1RAB9APOLBHDAC1HDAC6
SCHEMBL6957586 0.80 SMN1; SMN2 (0.48) NPC1RAB9APOLBHDAC1HDAC6
SCHEMBL8106090 0.80 GPR35 (0.62) GPR35CYSLTR2CYSLTR1NPC1RAB9A

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
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed