SCHEMBL9122017

SCHEMBL9122017

CC(=O)Oc1c(C(C)C)cc(Nc2cnccn2)cc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
NPC1 O15118 3/20 0.42
ACHE P22303 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
FFAR2 O15552 1/20 0.35
MEN1 O00255 1/20 0.35
MAPKAPK2 P49137 1/20 0.35

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
SCHEMBL9120736 0.83 RAB9A (0.48) RAB9ANPC1TSHRKDM4ESMN1; SMN2
SCHEMBL9827977 0.83 BRAF (0.39) ACHE
SCHEMBL9123205 0.80 RAB9A (0.41) RAB9ANPC1TSHRKDM4ESMN1; SMN2
SCHEMBL9120754 0.75 GAA (0.34) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL9122499 0.72 RAB9A (0.41) RAB9ANPC1TSHRKDM4EPOLB
SCHEMBL9841834 0.72 ACHE (0.43) RAB9ANPC1ACHEKDM4ESMN1; SMN2
SCHEMBL9828458 0.71 RAB9A (0.34) RAB9ANPC1TSHRKDM4ESMN1; SMN2
SCHEMBL27523883 0.71 TYK2 (0.40) RAB9ANPC1TSHRKDM4ESMN1; SMN2
SCHEMBL17935193 0.69 CA1 (0.46) SMN1; SMN2
SCHEMBL9120125 0.68 JAK2 (0.35) JAK2JAK1TYK2FFAR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428044-A Anti-inflammatory 4-aminophenyl derivatives FISONS PLC (GB) 1995-06-27 US disclosed
EP-0425650-A1 ANTI-INFLAMMATORY 4-AMINOPHENOL DERIVATIVES. FISONS PLC (GB) 1991-05-08 EP disclosed
WO-1990014338-A1 ANTI-INFLAMMATORY 4-AMINOPHENOL DERIVATIVES FISONS PLC (GB) 1990-11-29 WO disclosed