SCHEMBL29536877

SCHEMBL29536877

CSc1ncc2cc(Oc3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ RAB9A P51151 3/20 0.38
▸ PDGFRA P16234 2/20 0.38
▸ KDR P35968 1/20 0.38
▸ HSPB1 P04792 1/20 0.38
▸ TTBK1 Q5TCY1 1/20 0.38
▸ TTBK2 Q6IQ55 1/20 0.38
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HASPIN Q8TF76 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MYOC Q99972 1/20 0.36
▸ PDGFRB P09619 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
SCHEMBL25225454 1.00 HTT (0.41) HTTLMNAMAPTATMRAB9A
SCHEMBL25227659 0.77 ATM (0.43) HTTLMNAMAPTATMRAB9A
SCHEMBL29536685 0.77 ATM (0.43) HTTLMNAMAPTATMRAB9A
SCHEMBL25229344 0.73 TDP1 (0.41) HTTLMNAMAPTATMRAB9A
SCHEMBL22718993 0.69 LIG1 (0.42) MAPTRAB9AKDRMEN1KMT2A
SCHEMBL25228119 0.69 BRD4 (0.45) —
SCHEMBL2763413 0.69 HTT (0.50) HTTLMNAMAPTRAB9AHSPB1
SCHEMBL13345301 0.68 MEN1 (0.38) MAPTRAB9AMEN1KMT2AGAA
SCHEMBL31637509 0.68 MEN1 (0.43) LMNAMAPTMEN1KMT2ANPC1
SCHEMBL6073419 0.68 MEN1 (0.43) LMNAMAPTMEN1KMT2ANPC1

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
CN-116710453-A Kinase inhibitors and uses thereof 璧辰医药技术股份有限公司 2023-09-05 — — CN disclosed
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 — — EP disclosed
WO-2022032071-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-02-10 — — WO disclosed
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