SCHEMBL10902308

SCHEMBL10902308

CC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.72
▸ EPHA2 P29317 1/20 0.69
▸ FLT4 P35916 1/20 0.69
▸ GSK3B P49841 1/20 0.69
▸ RARB P10826 1/20 0.69
▸ TBXAS1 P24557 1/20 0.69
▸ SLC6A3 Q01959 1/20 0.69
▸ KDM4E B2RXH2 7/20 0.66
▸ ALDH1A1 P00352 7/20 0.66
▸ HPGD P15428 7/20 0.66
▸ HSD17B10 Q99714 7/20 0.66
▸ LMNA P02545 6/20 0.66
▸ POLB P06746 2/20 0.66
▸ HTT P42858 2/20 0.66
▸ XBP1 P17861 1/20 0.66
▸ NFKB1 P19838 1/20 0.66
▸ NFKB2 Q00653 1/20 0.66
▸ RELA Q04206 1/20 0.66
▸ CYP2C9 P11712 2/20 0.52
▸ ATP6V1B2 P21281 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
Temafloxacin SCHEMBL21776489 0.89 KMT2A (0.76) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8131284 0.88 KMT2A (0.56) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL16518629 0.88 KMT2A (0.80) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8129992 0.87 KMT2A (0.55) KMT2AEPHA2FLT4GSK3BRARB
Hydrochloric Acid SCHEMBL8137885 0.87 KMT2A (0.55) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL13575960 0.87 EPHA2 (0.79) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL312827 0.87 KMT2A (0.71) KMT2AEPHA2FLT4GSK3BRARB
Hydrochloric Acid SCHEMBL8136151 0.86 KMT2A (0.55) KMT2AEPHA2FLT4GSK3BRARB
Hydrochloric Acid SCHEMBL10551298 0.86 KMT2A (0.70) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL16518641 0.85 EPHA2 (0.83) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4616019-A ANTIBIOTIC ABBOTT LABORATORIES (US) 1986-10-07 — — US disclosed
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