SCHEMBL23939174

SCHEMBL23939174

CC(C)c1cccc(CN2CCOCC2)c1F

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 7/20 0.58
MAPT P10636 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CXCR4 P61073 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
KCNH2 Q12809 3/20 0.43
SOS1 Q07889 1/20 0.43

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
SCHEMBL4111089 0.86 CYP2A13 (0.63) CYP2A13MAPTMEN1KMT2ACYP2C9
SCHEMBL17724132 0.81 CYP2A13 (0.71) CYP2A13MEN1KMT2ACYP2C9ALOX15
SCHEMBL22479885 0.81 CYP2A13 (0.62) CYP2A13MAPTMEN1KMT2ACXCR4
SCHEMBL249086 0.78 CYP2A13 (0.61) CYP2A13MAPTMEN1KMT2ACYP2C9
SCHEMBL26505561 0.78 MAPT (0.51) CYP2A13MAPTMEN1KMT2ACYP2C9
SCHEMBL19532823 0.78 CYP2A13 (0.56) CYP2A13MEN1KMT2ACYP2C9ALOX15
SCHEMBL19542005 0.77 CYP2A13 (0.56) CYP2A13MEN1KMT2AALDH1A1KDM4E
SCHEMBL26832821 0.75 ALDH1A1 (0.48) MAPTMEN1KMT2AALOX15HSD17B10
SCHEMBL29417692 0.75 CYP2A13 (0.56) CYP2A13MAPTMEN1KMT2ACYP2C9
SCHEMBL17724305 0.75 CYP2A13 (0.56) CYP2A13MAPTMEN1KMT2ACYP2C9

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
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed
EP-3643709-B1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS LTD (CN) 2021-10-20 EP disclosed