SCHEMBL23402102

SCHEMBL23402102

CCc1c(-c2ccccc2)nn(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.43
ABL1 P00519 1/20 0.43
VCP P55072 5/20 0.39
ADORA3 P0DMS8 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 2/20 0.38
RECQL P46063 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PSMC4 P43686 1/20 0.37
KDM5B Q9UGL1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL23398769 0.88 KDM4E (0.42) SRCABL1VCPADORA3SMN1; SMN2
SCHEMBL23400269 0.86 LMNA (0.44) SRCABL1SMN1; SMN2HPGDPOLB
SCHEMBL23398636 0.85 HSD11B1 (0.40) SRCABL1VCPSMN1; SMN2HPGD
SCHEMBL23399111 0.84 RIPK2 (0.52) SRCABL1SMN1; SMN2HPGDALDH1A1
SCHEMBL23402450 0.84 SRC (0.40) SRCABL1VCPSMN1; SMN2HPGD
SCHEMBL23402495 0.81 KDM5A (0.36) SRCABL1SMN1; SMN2HPGDKDM4E
SCHEMBL23400820 0.79 KMT2A (0.48) SRCSMN1; SMN2POLBRECQLESR1
SCHEMBL23400097 0.79 SMN1; SMN2 (0.49) SRCABL1VCPSMN1; SMN2HPGD
SCHEMBL23401443 0.79 SMN1; SMN2 (0.51) SMN1; SMN2POLBRECQLESR1ESR2
SCHEMBL23403410 0.79 SRC (0.46) SRCABL1VCPSMN1; SMN2HPGD

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