SCHEMBL6277507

SCHEMBL6277507

CC(=O)C1(C)NN=C(Cc2ccccc2)S1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 1/20 0.37
▸ BRD4 O60885 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ AMPD2 Q01433 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33

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
SCHEMBL6272380 0.63 ADAMTS5 (0.46) LMNAALDH1A1KDM4EMAPTPOLB
Diphenylmethane SCHEMBL29127396 0.60 CALM1 (0.75) LMNATSHRCYP1A2KMT2A
Diphenylmethane SCHEMBL5607610 0.60 CALM1 (0.75) LMNATSHRCYP1A2KMT2A
Diphenylmethane SCHEMBL8658678 0.60 CALM1 (0.75) LMNATSHRCYP1A2KMT2A
Acetic Acid SCHEMBL9081320 0.58 KEAP1 (0.62) LMNAALOX15HIF1AKMT2AHSD17B10
Diphenylmethane SCHEMBL28413144 0.57 CALM1 (0.60) LMNAALDH1A1KMT2A
Benzenemethanethiol SCHEMBL28366028 0.57 IDO1 (0.70) LMNAALDH1A1HSD17B10
SCHEMBL2772794 0.57 LMNA (1.00) LMNATSHRALDH1A1MAPTKMT2A
Diphenylmethane SCHEMBL28626953 0.57 LMNA (0.59) LMNAALDH1A1KMT2A
Diphenylmethane SCHEMBL10394702 0.57 CALM1 (0.92) LMNATSHRALDH1A1

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
WO-2005092304-A2 ANTIFUNGAL AGENTS F2G LTD (GB) 2005-10-06 — — WO claimed
Send feedback