SCHEMBL20078094

SCHEMBL20078094

CCN(CC)c1ccc2c(-c3ccccc3C(=O)NC(=N)N)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 4/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ USP2 O75604 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ PPARG P37231 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ NCOR2 Q9Y618 1/20 0.57
▸ TGM2 P21980 1/20 0.52
▸ AVPR2 P30518 4/20 0.47
▸ NPY4R P50391 3/20 0.47
▸ CHRM1 P11229 1/20 0.46
▸ TLR7 Q9NYK1 1/20 0.46
▸ P2RY6 Q15077 1/20 0.42
▸ ABCB1 P08183 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL16058304 0.95 TGM2 (0.59) FPR2MEN1USP2POLBPPARG
SCHEMBL19392076 0.93 FPR2 (0.57) FPR2MEN1USP2POLBPPARG
SCHEMBL12118351 0.89 MEN1 (0.59) FPR2MEN1USP2POLBPPARG
SCHEMBL17552990 0.89 MEN1 (0.63) FPR2MEN1USP2POLBPPARG
SCHEMBL16066044 0.88 FPR2 (0.57) FPR2MEN1USP2POLBPPARG
Trifluoroacetic Acid SCHEMBL16058807 0.88 TGM2 (0.60) FPR2MEN1USP2POLBPPARG
SCHEMBL13033321 0.87 MEN1 (0.56) FPR2MEN1USP2POLBPPARG
SCHEMBL29593395 0.86 MEN1 (0.61) FPR2MEN1USP2POLBPPARG
SCHEMBL3903552 0.86 MEN1 (0.61) FPR2MEN1USP2POLBPPARG
Rhodamine B SCHEMBL10000882 0.86 MEN1 (0.61) FPR2MEN1USP2POLBPPARG

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-9952231-B2 Lysophosphatidic acid detection PORTLAND STATE UNIVERSITY (US) 2018-04-24 — — US disclosed
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