SCHEMBL28174339

SCHEMBL28174339

COc1ccc(Cc2cccnn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
MIF P14174 1/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP2D6 P10635 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
IDO1 P14902 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
SLC6A4 P31645 1/20 0.41
KDR P35968 1/20 0.40
PTK2 Q05397 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
Hydrazine SCHEMBL11630131 0.97 LTA4H (0.49) LTA4HALDH1A1LMNAHPGDMIF
SCHEMBL27601987 0.79 LTA4H (0.47) LTA4HALDH1A1LMNAHPGDMIF
SCHEMBL13610298 0.79 TP53 (0.40) LTA4HALDH1A1LMNAHPGDRAB9A
SCHEMBL2129775 0.77 ALDH1A1 (0.52) ALDH1A1LMNAMIFRAB9ACYP2D6
SCHEMBL2751117 0.77 L3MBTL1 (0.59) LTA4HALDH1A1LMNARAB9AMEN1
SCHEMBL29349000 0.77 ESR1 (0.48) ALDH1A1MIF
SCHEMBL28258872 0.76 APLNR (0.47) ALDH1A1LMNAMEN1KMT2ACYP2D6
SCHEMBL28128728 0.76 LTA4H (0.52) LTA4HALDH1A1LMNAHPGDMIF
SCHEMBL6131012 0.76 CYP1A2 (0.40) ALDH1A1CYP11B1CYP11B2CYP2D6SMN1; SMN2
SCHEMBL3076036 0.74 CYP1A2 (0.47) ALDH1A1LMNACYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed
CN-107074805-A GLS1 inhibitor for treating disease 德州大学系统董事会 2017-08-18 CN disclosed