SCHEMBL23399019

SCHEMBL23399019

Cc1cccc(-c2c(O)c(C(C)(C)C)nn2C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.39
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
RIPK2 O43353 2/20 0.36
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
IDO1 P14902 1/20 0.33
METAP2 P50579 1/20 0.33
LMNA P02545 1/20 0.33
GCGR P47871 1/20 0.33
ABL1 P00519 1/20 0.33
RPS6KA3 P51812 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
LDHA P00338 1/20 0.32

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
SCHEMBL23402026 0.86 SRC (0.42) SRCCNR1CNR2RIPK2KMT2A
SCHEMBL23399627 0.84 HTR2A (0.43) KMT2APOLB
SCHEMBL23400866 0.83 HTR2A (0.44) KMT2AALDH1A1POLBKDM4ENPC1
SCHEMBL23399578 0.82 CNR1 (0.40) SRCCNR1CNR2RIPK2ALDH1A1
SCHEMBL23399352 0.82 SLC16A3 (0.38) CNR1CNR2RIPK2KMT2AALDH1A1
SCHEMBL23400205 0.81 SRC (0.39) SRCCNR1CNR2RIPK2KMT2A
SCHEMBL23401296 0.81 RIPK2 (0.45) SRCCNR1CNR2RIPK2ALDH1A1
SCHEMBL23402439 0.80 NPC1 (0.44) CNR1CNR2RIPK2ALDH1A1LMNA
SCHEMBL23399981 0.80 SRC (0.45) SRCCNR1CNR2KMT2AALDH1A1
SCHEMBL23402136 0.78 HEXA (0.40) SRCKMT2AALDH1A1POLBMAPK1

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed