SCHEMBL31723277

SCHEMBL31723277

Cc1cc(CNc2cc(F)cc(N)c2C)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.39
MPO P05164 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
KCNQ3 O43525 2/20 0.37
KCNQ2 O43526 2/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DHFR P00374 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 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
SCHEMBL22232147 1.00 MMP13 (0.39) MMP13MPOHDAC3HDAC1HDAC2
SCHEMBL22232091 0.76 MPO (0.48) MMP13MPOSLC6A2SLC6A4SLC6A3
SCHEMBL6412456 0.72 MMP13 (0.50) MMP13MPOHDAC3HDAC1HDAC2
SCHEMBL22232429 0.72 MMP13 (0.32) MMP13HDAC3HDAC1HDAC2HDAC8
SCHEMBL22232432 0.72 MMP13 (0.32) MMP13HDAC3HDAC1HDAC2HDAC8
SCHEMBL5539429 0.71 HDAC8 (0.41) MMP13HDAC3HDAC1HDAC2HDAC8
SCHEMBL12658350 0.70 SHMT2 (0.48) HDAC3HDAC1HDAC2KCNQ3KCNQ2
SCHEMBL16625699 0.69 KCNQ3 (0.47) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL6077290 0.68 PTPN7 (0.47) MMP13HDAC3HDAC1HDAC2HDAC8
SCHEMBL17971122 0.68 ESR1 (0.54) MMP13MPOHDAC3HDAC1HDAC2

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
EP-4647426-A2 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI Industries Ltd. (IN) 2025-11-12 EP claimed
EP-4647426-A2 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI Industries Ltd. (IN) 2025-11-12 EP disclosed