SCHEMBL28346359

SCHEMBL28346359

Cn1c2ccccc2c2cc(C=O)ccc21.Nc1nnc(-c2ccccc2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.49
▸ PTGER4 P35408 1/20 0.45
▸ KDM4E B2RXH2 9/20 0.42
▸ ALDH1A1 P00352 8/20 0.42
▸ HPGD P15428 5/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ POLB P06746 4/20 0.41
▸ MAPT P10636 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL28346334 0.97 NOTUM (0.52) NOTUMPTGER4KDM4EALDH1A1HPGD
SCHEMBL28349908 0.85 KDM4E (0.55) NOTUMPTGER4KDM4EALDH1A1NPC1
SCHEMBL28346365 0.80 NOTUM (0.49) NOTUMKDM4EALDH1A1HPGDNPC1
SCHEMBL28349907 0.79 PTGER4 (0.57) PTGER4KDM4EALDH1A1HPGDRAB9A
SCHEMBL29570020 0.79 PTGER4 (0.64) PTGER4KDM4EALDH1A1HPGDRAB9A
SCHEMBL718797 0.79 PTGER4 (0.64) PTGER4KDM4EALDH1A1HPGDRAB9A
SCHEMBL28346327 0.78 MAPT (0.53) PTGER4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL28349178 0.78 NOTUM (0.46) NOTUMKDM4EALDH1A1HPGDNPC1
SCHEMBL12680689 0.76 NPC1 (0.55) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL28349898 0.75 KDM4E (0.52) NOTUMPTGER4KDM4EALDH1A1HPGD

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
CN-110627783-B Preparation method of Schiff base containing carbazolyl and oxadiazolyl or thiadiazolyl 陕西科技大学 2021-11-16 — — CN disclosed
CN-110627783-A Preparation method of Schiff base containing carbazolyl and oxadiazolyl or thiadiazolyl 陕西科技大学 2019-12-31 — — CN disclosed
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