SCHEMBL28162853

SCHEMBL28162853

O=C(Cc1ccc(CN2CCOCC2)cc1)Cc1ccc(C(=O)NCCNO)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.67
▸ ALDH1A1 P00352 3/20 0.61
▸ NPC1 O15118 5/20 0.60
▸ RAB9A P51151 4/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ MAPT P10636 1/20 0.59
▸ TSHR P16473 1/20 0.57
▸ HIF1A Q16665 2/20 0.56
▸ EPAS1 Q99814 2/20 0.56
▸ HTR1A P08908 1/20 0.55
▸ MAOA P21397 1/20 0.55
▸ MAOB P27338 1/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ CD274 Q9NZQ7 1/20 0.55

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
SCHEMBL3017442 0.87 KMT2A (0.65) KMT2AALDH1A1NPC1RAB9AKDM4E
SCHEMBL28162775 0.83 KMT2A (0.58) KMT2AALDH1A1NPC1RAB9AKDM4E
SCHEMBL10272436 0.82 KMT2A (0.77) KMT2AALDH1A1NPC1RAB9AKDM4E
Formaldehyde SCHEMBL28162776 0.81 KMT2A (0.61) KMT2AALDH1A1NPC1RAB9AKDM4E
SCHEMBL28137072 0.80 HPGD (0.58) KMT2AALDH1A1NPC1RAB9AKDM4E
SCHEMBL7705653 0.79 ALDH1A1 (0.77) KMT2AALDH1A1NPC1RAB9AKDM4E
SCHEMBL24728688 0.77 HIF1A (0.68) KMT2AALDH1A1NPC1RAB9AKDM4E
SCHEMBL5095146 0.76 KMT2A (0.67) KMT2AALDH1A1NPC1RAB9AKDM4E
SCHEMBL14045111 0.76 KMT2A (0.67) KMT2AALDH1A1NPC1RAB9AKDM4E
SCHEMBL28847817 0.75 HIF1A (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA

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-107021895-A Antiseptic 尔察祯有限公司 2017-08-08 — — CN disclosed
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