SCHEMBL8429920

SCHEMBL8429920

O=C(c1ccc(-c2ccccn2)nc1)N(Cc1ccccc1)Cc1ccccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.49
▸ OXTR P30559 2/20 0.48
▸ AVPR1A P37288 2/20 0.48
▸ GPBAR1 Q8TDU6 3/20 0.48
▸ TSHR P16473 2/20 0.47
▸ CFTR P13569 1/20 0.45
▸ P4HTM Q9NXG6 2/20 0.44
▸ LPAR1 Q92633 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LTB4R2 Q9NPC1 1/20 0.41
▸ GAA P10253 1/20 0.40

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
SCHEMBL8425714 0.89 HPGDS (0.60) HPGDSOXTRAVPR1ATSHRCFTR
SCHEMBL7961749 0.85 HPGDS (0.56) HPGDSOXTRAVPR1ATSHRCFTR
SCHEMBL7952466 0.83 HPGDS (0.52) HPGDSOXTRAVPR1ATSHRCFTR
SCHEMBL6785255 0.73 LMNA (0.51) GPBAR1LPAR1KMT2AGAA
SCHEMBL6780567 0.71 GPBAR1 (0.49) GPBAR1TSHRKMT2AGAA
SCHEMBL6235626 0.71 GPBAR1 (0.47) GPBAR1CFTRHDAC3HDAC1HDAC6
SCHEMBL8359492 0.69 KMT2A (0.76) TSHRCFTRLPAR1HDAC3HDAC1
SCHEMBL1003508 0.69 HDAC1 (0.71) TSHRCFTRHDAC3HDAC1HDAC7
SCHEMBL22100277 0.69 OXTR (0.48) HPGDSOXTRAVPR1AHDAC3HDAC1
SCHEMBL5353976 0.68 MEN1 (0.71) TSHRCFTRLPAR1MEN1KMT2A

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-5874587-A FLUORESCENCE THE ROCKEFELLER UNIVERSITY (US) 1999-02-23 — — US disclosed
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