SCHEMBL26602802

SCHEMBL26602802

Cc1cc(Br)c2c(c1)c(=O)[nH]c1ccnn12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 6/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ DDR1 Q08345 1/20 0.31
▸ RAB9A P51151 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ XBP1 P17861 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HIF1A Q16665 1/20 0.30

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
SCHEMBL31359467 1.00 PARP1 (0.36) PARP1CYP1A2ALDH1A1MAPTESR1
SCHEMBL31359451 0.74 PARP1 (0.33) PARP1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL26602716 0.74 PARP1 (0.33) PARP1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL30625273 0.73 CYP1A2 (0.36) CYP1A2ALDH1A1MAPTESR1ESR2
SCHEMBL26602827 0.73 CYP1A2 (0.36) CYP1A2ALDH1A1MAPTESR1ESR2
SCHEMBL29799635 0.69 GRIN2D (0.42) PARP1CYP1A2ALDH1A1ESR1ESR2
SCHEMBL27186626 0.69 GRIN2D (0.42) PARP1CYP1A2ALDH1A1ESR1ESR2
SCHEMBL31392493 0.69 HPGD (0.36) PARP1CYP1A2ALDH1A1HTTSMN1; SMN2
SCHEMBL14013817 0.67 POLB (0.36) PARP1CYP1A2ALDH1A1RAB9ANPC1
SCHEMBL12190827 0.65 KDM4E (0.38) PARP1CYP1A2ALDH1A1MAPTRAB9A

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
EP-4511373-A1 PI3K? INHIBITORS Synnovation Therapeutics, Inc. (US) 2025-02-26 — — EP disclosed
WO-2023205680-A1 PI3Kα INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-10-26 — — WO disclosed
WO-2023205680-A1 PI3Kα INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-10-26 — — WO disclosed
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