SCHEMBL7682852

SCHEMBL7682852

Cc1n[nH]c2c1C(=O)CC(c1ccccc1O)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
HCAR2 Q8TDS4 2/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
AR P10275 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
HSD11B1 P28845 1/20 0.35
AKR1C3 P42330 1/20 0.35
TERT O14746 3/20 0.34

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
SCHEMBL7689241 0.86 HCAR2 (0.48) HSD17B10ALOX15TSHRMAPTLMNA
SCHEMBL7683237 0.84 SMN1; SMN2 (0.48) TSHRMAPTLMNASMN1; SMN2RXFP1
SCHEMBL7683547 0.82 MAP1LC3B (0.50) TSHRLMNASMN1; SMN2USP2PKM
SCHEMBL7689368 0.74 PIM1 (0.45) ALOX15TSHRMAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7687556 0.74 LMNA (0.35) HSD17B10LMNAHTTHCAR2TP53
Hydrochloric Acid SCHEMBL7687559 0.74 LMNA (0.35) HSD17B10LMNAHTTHCAR2TP53
Hydrochloric Acid SCHEMBL7687660 0.73 PIM1 (0.44) ALOX15TSHRMAPTLMNASMN1; SMN2
SCHEMBL7481463 0.72 HCAR2 (0.45) HSD17B10ALOX15TSHRMAPTLMNA
SCHEMBL4620173 0.72 HSP90AA1 (0.69) HSD17B10TSHRMAPTLMNASMN1; SMN2
SCHEMBL7682930 0.71 MAPT (0.44) MAPT

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
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed