SCHEMBL2636268

SCHEMBL2636268

O=C(O)c1ccccc1N=Cc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 10/20 0.59
▸ KDM4E B2RXH2 9/20 0.59
▸ ALDH1A1 P00352 9/20 0.59
▸ MAPT P10636 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ GAA P10253 4/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ PTGS2 P35354 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL11751639 1.00 HPGD (0.59) HPGDKDM4EALDH1A1MAPTLMNA
SCHEMBL2636266 1.00 HPGD (0.59) HPGDKDM4EALDH1A1MAPTLMNA
N-Benzylideneanthranilic Acid SCHEMBL11423123 0.88 ALDH1A1 (0.74) HPGDKDM4EALDH1A1MAPTLMNA
N-Benzylideneanthranilic Acid SCHEMBL11423120 0.88 ALDH1A1 (0.74) HPGDKDM4EALDH1A1MAPTLMNA
N-Benzylideneanthranilic Acid SCHEMBL19924599 0.88 ALDH1A1 (0.74) HPGDKDM4EALDH1A1MAPTLMNA
SCHEMBL2635921 0.83 ALDH1A1 (0.55) HPGDKDM4EALDH1A1MAPTLMNA
SCHEMBL2635920 0.83 ALDH1A1 (0.55) HPGDKDM4EALDH1A1MAPTLMNA
SCHEMBL11403858 0.82 KDM4E (0.61) HPGDKDM4EALDH1A1MAPTLMNA
SCHEMBL11403856 0.82 KDM4E (0.61) HPGDKDM4EALDH1A1MAPTLMNA
SCHEMBL20279174 0.77 GAA (0.61) HPGDKDM4EALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011140599-A1 CHEMICAL COMPOUND ARRAYS USEFUL FOR DETECTING BACTERIAL PEPTIDES MONASH UNIVERSITY (AU) 2011-11-17 — — WO claimed
WO-2011140599-A1 CHEMICAL COMPOUND ARRAYS USEFUL FOR DETECTING BACTERIAL PEPTIDES MONASH UNIVERSITY (AU) 2011-11-17 — — WO disclosed
US-4046916-A ANALGESIC, ANTIPYRETIC SOCIETE ANONYME CORTIAL S.A. (FR) 1977-09-06 — — US disclosed
US-3947587-A Analgesics obtained by reacting a primary amine and an aldehyde SOCIETE ANONYME CORTIAL S. A. (FR) 1976-03-30 — — US disclosed
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