SCHEMBL11427459

SCHEMBL11427459

CCN(CC)c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ ABCG2 Q9UNQ0 1/20 0.60
▸ PKM P14618 1/20 0.57
▸ LMNA P02545 3/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ RAB9A P51151 4/20 0.56
▸ HTT P42858 3/20 0.56
▸ P2RX1 P51575 1/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ GAA P10253 2/20 0.55
▸ MAPT P10636 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ NCOA1 Q15788 1/20 0.53
▸ NCOA3 Q9Y6Q9 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TP53 P04637 1/20 0.52

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
SCHEMBL5668739 0.86 KMT2A (0.65) KMT2AMEN1ABCG2PKMLMNA
SCHEMBL10894466 0.81 MEN1 (0.62) KMT2AMEN1LMNAL3MBTL1RAB9A
SCHEMBL6881555 0.81 MEN1 (0.62) KMT2AMEN1LMNARAB9AHTT
SCHEMBL11425084 0.80 F2R (0.63) KMT2AMEN1LMNARAB9ASMN1; SMN2
SCHEMBL5666338 0.80 KMT2A (0.78) KMT2AMEN1ABCG2LMNAL3MBTL1
SCHEMBL5225415 0.80 MEN1 (0.70) KMT2AMEN1ABCG2LMNARAB9A
SCHEMBL11193048 0.80 MEN1 (0.56) KMT2AMEN1LMNARAB9AHTT
SCHEMBL14018735 0.80 ABCG2 (0.89) KMT2AMEN1ABCG2LMNAL3MBTL1
SCHEMBL11429429 0.79 CYP1A2 (0.69) KMT2AMEN1LMNAL3MBTL1RAB9A
SCHEMBL27969765 0.78 KMT2A (0.71) KMT2AMEN1ABCG2LMNAL3MBTL1

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-4240959-A FOR ACRYLONITRILE POLYMER OR COPOLYMER FIBERS; FASTNESS PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1980-12-23 — — US disclosed
Send feedback