SCHEMBL11152249

SCHEMBL11152249

CCCCn1nc(C(=O)NCCO)c(=O)c2cc(F)c(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.40
▸ GLA P06280 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CNR2 P34972 9/20 0.38
▸ CNR1 P21554 8/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ TSHR P16473 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ ALPL P05186 1/20 0.35

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
SCHEMBL11145789 0.83 ALDH1A1 (0.57) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL11149057 0.76 ALDH1A1 (0.59) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL11151040 0.74 ALDH1A1 (0.56) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL11149089 0.71 ALDH1A1 (0.71) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL11154817 0.70 MAPK8 (0.47) KDM4EALDH1A1CNR2CNR1LMNA
SCHEMBL11144945 0.70 ALDH1A1 (0.60) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL5777179 0.70 ALDH1A1 (0.48) KDM4EKMT2AALDH1A1HPGDLMNA
SCHEMBL11152267 0.69 LMNA (0.41) KDM4EMEN1KMT2AALDH1A1CNR2
SCHEMBL11149155 0.68 POLB (0.42) KDM4EALDH1A1HPGDCNR2LMNA
SCHEMBL11154823 0.68 POLB (0.46) KDM4EALDH1A1HPGDLMNATSHR

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-4379929-A BACTERIOSTATS ELI LILLY AND COMPANY (US) 1983-04-12 — — US disclosed
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