SCHEMBL19365478

SCHEMBL19365478

Nc1ccc(-c2cncc(C(F)(F)F)c2)nc1N(C(=O)Nc1cccnc1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ UBE2M P61081 2/20 0.37
▸ DCUN1D1 Q96GG9 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ KDR P35968 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ EPHX2 P34913 1/20 0.36

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
SCHEMBL19365556 0.98 UBE2M (0.38) HDAC3HDAC1HDAC2POLBRAB9A
SCHEMBL19365519 0.92 POLB (0.46) HDAC3HDAC1HDAC2POLBRAB9A
SCHEMBL19365604 0.90 HDAC1 (0.46) HDAC3HDAC1HDAC2POLBRAB9A
SCHEMBL19365429 0.89 POLB (0.36) HDAC2POLBRAB9AUBE2MDCUN1D1
SCHEMBL19670509 0.88 HDAC1 (0.41) HDAC3HDAC1HDAC2POLBABL1
SCHEMBL19365451 0.87 GABRA1 (0.36) HDAC3HDAC1HDAC2POLBRAB9A
SCHEMBL19365471 0.87 ATR (0.36) HDAC3HDAC1HDAC2POLBRAB9A
SCHEMBL19365461 0.87 HDAC1 (0.39) HDAC3HDAC1HDAC2POLBRAB9A
SCHEMBL19365728 0.85 HDAC2 (0.43) HDAC3HDAC1HDAC2POLBABL1
SCHEMBL19365778 0.85 HDAC3 (0.39) HDAC3HDAC1HDAC2POLBABL1

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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