SCHEMBL29956403

SCHEMBL29956403

Cc1c(B(O)O)ccnc1Cl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.34
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
ENPP2 Q13822 1/20 0.30
CA2 P00918 1/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL19549878 1.00 FFAR1 (0.34) FFAR1CCR1CCR5CCR8LMNA
SCHEMBL25075536 0.84 FFAR1 (0.31) FFAR1CCR1CCR5CCR8
SCHEMBL12327210 0.81 NPC1 (0.32) LMNASMN1; SMN2NPC1RAB9A
SCHEMBL29766613 0.81 NPC1 (0.32) LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4290135 0.80 LMNA (0.32) CCR1CCR5CCR8LMNASMN1; SMN2
SCHEMBL29446706 0.80 LMNA (0.32) CCR1CCR5CCR8LMNASMN1; SMN2
Water SCHEMBL29955324 0.79 NPC1 (0.31) NPC1RAB9A
SCHEMBL29953166 0.78 LMNA (0.32) LMNASMN1; SMN2RXFP1ENPP2
SCHEMBL29953880 0.77 CCR1 (0.36) CCR1CCR5CCR8NOS3NOS2
SCHEMBL539587 0.77 CCR1 (0.36) CCR1CCR5CCR8NOS3NOS2

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-2026101724-A1 AMINO PYRIMIDINE AND AMINO TRIAZINE ANALOGS FOR TREATING CANCER NEREID THERAPEUTICS INCORPORATED (US) 2026-05-15 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed