SCHEMBL8574487

SCHEMBL8574487

CCCCc1c(-n2cc(NC(=O)c3ccccc3)nc2C)ccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ AGTR1 P30556 1/20 0.31
▸ AGTR2 P50052 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31

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
SCHEMBL8574665 0.89 GAA (0.36) KDM4EMEN1TSHRKMT2ANPSR1
SCHEMBL8572056 0.86 NR2E1 (0.33) POLBKDM4EPSEN1PSEN2APH1B
SCHEMBL8577124 0.82 NPC1 (0.34) POLBTRPV1ACKR3
SCHEMBL8573310 0.82 NPC1 (0.38) JAK1
SCHEMBL8579070 0.82 NPC1 (0.42) MEN1LMNATP53KMT2A
SCHEMBL8576962 0.81 ALDH1A1 (0.35) POLBNPSR1TRPV1
SCHEMBL8500999 0.81 CTSL (0.37) POLBKDM4ETSHRPSEN1PSEN2
SCHEMBL8573316 0.80 TRPV1 (0.40) MEN1KMT2ATRPV1
SCHEMBL8573431 0.80 L3MBTL1 (0.34) POLBMEN1TSHRKMT2ATRPV1
SCHEMBL8501237 0.80 MTTP (0.36) POLBMEN1LMNAKMT2ANPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760246-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB COMPANY 1998-06-02 — — US claimed
US-5760246-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB COMPANY 1998-06-02 — — US disclosed
US-H1729-H Method for preparing compounds employing solid phase synthesis and novel linker-resin BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-05 — — US disclosed
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