SCHEMBL9717969

SCHEMBL9717969

CN(C)CC1(O)CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.60
▸ EPHA2 P29317 1/20 0.60
▸ FLT4 P35916 1/20 0.60
▸ GSK3B P49841 1/20 0.60
▸ RARB P10826 1/20 0.60
▸ TBXAS1 P24557 1/20 0.60
▸ SLC6A3 Q01959 1/20 0.60
▸ LMNA P02545 5/20 0.57
▸ ALDH1A1 P00352 5/20 0.57
▸ KDM4E B2RXH2 5/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ POLB P06746 2/20 0.57
▸ XBP1 P17861 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ CYP2C9 P11712 1/20 0.45
▸ ATP6V1B2 P21281 1/20 0.45

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 SCHEMBL9256214 0.99 KMT2A (0.59) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9258854 0.90 KMT2A (0.51) KMT2AEPHA2FLT4GSK3BRARB
Hydrochloric Acid SCHEMBL9287410 0.84 KDM4E (0.45) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9181492 0.83 DPP4 (0.54) KMT2ALMNAALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL9175323 0.83 DPP4 (0.53) KMT2ALMNAALDH1A1KDM4EHSD17B10
SCHEMBL9080327 0.82 KMT2A (0.64) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8322472 0.81 KMT2A (0.72) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL14499425 0.81 KMT2A (0.75) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9146420 0.80 EPHA2 (0.71) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL5868674 0.80 KMT2A (0.71) 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-5173484-A Animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1992-12-22 — — US disclosed
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