SCHEMBL30848490

SCHEMBL30848490

Cc1ccccc1C(=O)NC1CC(F)C1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.57
GLA P06280 1/20 0.57
POLB P06746 3/20 0.52
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.49
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 1/20 0.47
P2RX7 Q99572 1/20 0.47

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
SCHEMBL31122892 0.83 NPC1 (0.60) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL30786794 0.83 NPC1 (0.60) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL457993 0.83 NPC1 (0.84) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL16018368 0.82 NPC1 (0.58) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL31419554 0.82 GAA (0.55) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL31122901 0.81 NPC1 (0.61) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL13162023 0.80 NPC1 (0.64) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL30848554 0.80 KMT2A (0.54) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL30855447 0.80 KMT2A (0.54) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL13162641 0.80 NPC1 (0.90) NPC1RAB9ASMN1; SMN2GLAPOLB

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
CN-118043327-A FGFR inhibitors and methods of use thereof 思康睿奇(上海)药业有限公司 2024-05-14 CN claimed
CN-118043327-A FGFR inhibitors and methods of use thereof 思康睿奇(上海)药业有限公司 2024-05-14 CN disclosed