SCHEMBL23398449

SCHEMBL23398449

Cc1c(-c2ccccc2)c(O)nn1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
CDK8 P49336 1/20 0.44
ACVR1 Q04771 1/20 0.44
CREBBP Q92793 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.38
ALOX5 P09917 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
DHFR P00374 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
SCHEMBL23399504 0.85 HTR7 (0.38) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL23402711 0.81 MAPT (0.44) MAPTCDK8ACVR1NPC1RAB9A
SCHEMBL20320421 0.80 MAPT (0.67) MAPTCDK8ACVR1CREBBPNPC1
SCHEMBL27217096 0.78 MAPT (0.50) MAPTCDK8ACVR1CREBBPNPC1
SCHEMBL23398433 0.78 NPC1 (0.51) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL23400439 0.78 ESR1 (0.42) MAPTCDK8ACVR1NR1H3POLB
SCHEMBL23402647 0.78 TDP1 (0.46) MAPTCDK8ACVR1NPC1RAB9A
SCHEMBL23401679 0.77 PKM (0.41) MAPTCDK8ACVR1NPC1RAB9A
SCHEMBL23402072 0.77 LMNA (0.43) MAPTRAB9ANR1H2NR1H3POLB
SCHEMBL23400366 0.77 GRIA2 (0.43) MAPTCDK8ACVR1NPC1RAB9A

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