SCHEMBL2635635

SCHEMBL2635635

CN(c1ccc(C(=O)O)cc1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ POLB P06746 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NAPRT Q6XQN6 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ P4HTM Q9NXG6 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4C Q9H3R0 2/20 0.41
▸ KDM6B O15054 1/20 0.41
▸ KDM4A O75164 1/20 0.41
▸ KDM5C P41229 1/20 0.41
▸ KDM2A Q9Y2K7 1/20 0.41

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
SCHEMBL15065633 0.88 ALDH1A1 (0.47) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL4805106 0.82 CYP2D6 (0.50) KDM4EALDH1A1POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL4509968 0.81 CYP2D6 (0.48) KDM4EALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL2085181 0.81 CYP2D6 (0.48) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL17221689 0.80 NPC1 (0.52) HPGDKDM4EALDH1A1HSD17B10NPC1
SCHEMBL13367495 0.80 CYP2D6 (0.44) KDM4EALDH1A1NPC1MEN1KMT2A
SCHEMBL17602105 0.80 GRIA1 (0.52) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL10266232 0.79 KDM4C (0.55) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL11271002 0.79 PTGS2 (0.49) POLBTSHRLMNAKDM4CGAA
SCHEMBL11564875 0.79 HCAR3 (0.56) HPGDKDM4EALDH1A1HSD17B10HDAC6

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-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
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