SCHEMBL8131253

SCHEMBL8131253

CN1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccncc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.54
▸ EPHA2 P29317 1/20 0.54
▸ FLT4 P35916 1/20 0.54
▸ GSK3B P49841 1/20 0.54
▸ RARB P10826 1/20 0.54
▸ TBXAS1 P24557 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ KDM4E B2RXH2 6/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51

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
Hydrochloric Acid SCHEMBL8121627 0.99 KMT2A (0.54) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8129087 0.89 LMNA (0.63) KMT2AEPHA2FLT4GSK3BRARB
Hydrochloric Acid SCHEMBL8133083 0.88 LMNA (0.62) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8131883 0.84 EPHA2 (0.58) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8131284 0.84 KMT2A (0.56) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8137965 0.84 LMNA (0.69) KMT2AKDM4EALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL8130765 0.84 EPHA2 (0.57) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8134832 0.84 KMT2A (0.78) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL10904821 0.83 LMNA (0.66) KMT2AEPHA2FLT4GSK3BRARB
Hydrochloric Acid SCHEMBL8137885 0.83 KMT2A (0.55) KMT2AEPHA2FLT4GSK3BRARB

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
EP-0713487-B1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARM IND CO LTD (KR) 2000-04-19 — — EP disclosed
WO-1995005373-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARMACEUTICAL INDUSTRIAL CO., LTD. (KR) 1995-02-23 — — WO disclosed
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