SCHEMBL31190852

SCHEMBL31190852

Clc1cccc2c1c(Br)nn2C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.40
P2RX7 Q99572 9/20 0.39
IL1B P01584 7/20 0.39
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RET P07949 2/20 0.34
MAP3K5 Q99683 1/20 0.33
RORC P51449 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE10A Q9Y233 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 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
SCHEMBL31190796 0.85 P2RX7 (0.38) DGAT2P2RX7IL1BHPGDALDH1A1
SCHEMBL31190648 0.81 CYP4F2 (0.35) DGAT2RETMAP3K5PDE10ARXRA
SCHEMBL31190737 0.81 DGAT2 (0.36) DGAT2P2RX7IL1BHPGDALDH1A1
SCHEMBL31586782 0.81 RET (0.40) DGAT2RETPDE10ARXRARXRB
SCHEMBL29005562 0.80 ESR1 (0.42) DGAT2HPGDALDH1A1RETMAP3K5
SCHEMBL29363550 0.79 MAP3K5 (0.37) DGAT2ALDH1A1RETMAP3K5KDM4E
SCHEMBL1513052 0.79 MAP3K5 (0.37) DGAT2ALDH1A1RETMAP3K5KDM4E
SCHEMBL31190685 0.77 DGAT2 (0.36) DGAT2P2RX7IL1BHPGDALDH1A1
SCHEMBL26404836 0.77 DGAT2 (0.39) DGAT2P2RX7IL1BHPGDALDH1A1
SCHEMBL16634070 0.77 CYP4F2 (0.37) DGAT2HPGDALDH1A1RETMAP3K5

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
WO-2024220747-A2 FLUORINATED CYCLIC DERIVATIVES OF SULFONAMIDES AND SULFONES, AND COMPOSITIONS AND METHODS THEREOF Lysoway Therapeutics, Inc. (US) 2024-10-24 WO disclosed