SCHEMBL29913684

SCHEMBL29913684

O=C(O)c1ccc(-c2ccccn2)nc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 5/20 0.74
P4HA1 P13674 3/20 0.74
LDHA P00338 1/20 0.68
KDM4E B2RXH2 4/20 0.64
KDM6B O15054 1/20 0.64
KDM4A O75164 1/20 0.64
KDM5C P41229 1/20 0.64
KDM4C Q9H3R0 1/20 0.64
KDM2A Q9Y2K7 1/20 0.64
KDM3A Q9Y4C1 1/20 0.64
HPGDS O60760 2/20 0.61
LMNA P02545 2/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CCR1 P32246 1/20 0.52
CCR5 P51681 1/20 0.52
CCR8 P51685 1/20 0.52
METAP1 P53582 1/20 0.52
BLM P54132 1/20 0.52
HIF1A Q16665 1/20 0.52

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
SCHEMBL687378 1.00 P4HTM (0.74) P4HTMP4HA1LDHAKDM4EKDM6B
SCHEMBL29488117 0.98 P4HTM (0.71) P4HTMP4HA1LDHAKDM4EKDM6B
Hydrochloric Acid SCHEMBL29488111 0.98 P4HTM (0.71) P4HTMP4HA1LDHAKDM4EKDM6B
Dipyridyl SCHEMBL28600995 0.93 P4HTM (0.65) P4HTMP4HA1LDHAKDM4EKDM6B
SCHEMBL27001722 0.91 LDHA (0.62) P4HTMP4HA1LDHAKDM4EKDM6B
SCHEMBL12131264 0.86 P4HTM (0.58) P4HTMP4HA1LDHAKDM4EKDM6B
Dipyridyl SCHEMBL28117961 0.86 KDM4E (0.75) P4HTMP4HA1KDM4EKDM6BKDM4A
SCHEMBL29683317 0.86 P4HTM (1.00) P4HTMP4HA1LDHACYP1A2HCAR3
SCHEMBL68560 0.86 P4HTM (1.00) P4HTMP4HA1LDHACYP1A2HCAR3
SCHEMBL29397057 0.86 P4HTM (1.00) P4HTMP4HA1LDHACYP1A2HCAR3

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
CN-113603602-B Method for preparing beta-aminopropionic acid with high selectivity 万华化学集团股份有限公司 2022-07-12 CN claimed