SCHEMBL29901014

SCHEMBL29901014

CC(C)c1ccc(N)c(-c2cc(C(C)C)ccc2N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
HTT P42858 2/20 0.56
GAA P10253 2/20 0.56
ALOX12 P18054 1/20 0.56
HIF1A Q16665 1/20 0.56
LMNA P02545 1/20 0.54
TRPA1 O75762 1/20 0.46
PTGS1 P23219 1/20 0.46
CACNA1C Q13936 1/20 0.46
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SCN4A P35499 1/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 3/20 0.41
GFER P55789 1/20 0.41
FADS1 O60427 1/20 0.38
RNASEH1 O60930 1/20 0.38
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
Hydrochloric Acid SCHEMBL29900995 0.98 ALDH1A1 (0.54) ALDH1A1HTTGAAALOX12HIF1A
Acetic Acid SCHEMBL30206645 0.88 HIF1A (0.50) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL7435713 0.83 ALDH1A1 (0.48) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL741007 0.82 ALDH1A1 (0.64) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL29549360 0.82 ALDH1A1 (0.64) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL10773936 0.82 LMNA (0.43) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL7442456 0.80 ADRB2 (0.44) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL28051697 0.79 PDK2 (0.46) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL7444699 0.79 AHR (0.46) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL6033966 0.78 ALDH1A1 (0.54) ALDH1A1HTTGAAALOX12HIF1A

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-111269129-B Method for preparing 5,5 '-disubstituted-2, 2' -diaminobiphenyl and hydrochloride thereof by continuous flow oxidation coupling method 天津科技大学 2023-03-03 CN disclosed
CN-111574380-B Method for preparing 5,5 '-disubstituted-2, 2' -diaminobiphenyl and hydrochloride thereof by reduction coupling method 天津科技大学 2022-09-09 CN disclosed