SCHEMBL8523535

SCHEMBL8523535

CCCCc1c(N2CCCCC2)cc(NC(=O)c2ccccc2)c2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ BRPF1 P55201 1/20 0.39
▸ TP53 P04637 2/20 0.37
▸ POLB P06746 3/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MAPT P10636 5/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDR P35968 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
SCHEMBL8483454 0.90 MEN1 (0.35) KMT2AMEN1TP53POLBSMN1; SMN2
SCHEMBL8480001 0.89 MAPT (0.38) KMT2AMEN1BRPF1TP53POLB
SCHEMBL8653102 0.88 HCRTR1 (0.35) KMT2AMEN1BRPF1TP53SMN1; SMN2
SCHEMBL8654141 0.87 POLB (0.37) KMT2AMEN1BRPF1POLBALDH1A1
SCHEMBL8653442 0.87 NPY2R (0.37) KMT2AMEN1BRPF1POLBALDH1A1
SCHEMBL8479944 0.87 MAPT (0.37) KMT2AMEN1BRPF1TP53POLB
SCHEMBL8480392 0.87 NPSR1 (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL8652731 0.86 MTTP (0.36) KMT2AMEN1BRPF1POLBALDH1A1
SCHEMBL8668000 0.85 KMT2A (0.37) KMT2AMEN1BRPF1TP53POLB
SCHEMBL8572054 0.84 LMNA (0.38) ALDH1A1MAPTCYP1A2GAACYP2D6

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-5883099-A TREATMENT OF ATHERSCLEROSIS, PANCREATITIS OBESITY OR HYPERGLYCEMIA BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-16 — — US disclosed
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