SCHEMBL30848469

SCHEMBL30848469

Cc1ccccc1C(=O)NC1(C(F)(F)F)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX12 P18054 1/20 0.43
P2RX7 Q99572 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.42
TYK2 P29597 1/20 0.42

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
SCHEMBL30848628 0.81 FAAH (0.56) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL23777401 0.77 NPC1 (0.50) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL397839 0.77 HPGD (0.51) HPGDNPC1RAB9ATP53SMN1; SMN2
SCHEMBL31079661 0.75 HPGD (0.46) HPGDNPC1RAB9ASMN1; SMN2P2RX7
SCHEMBL13193074 0.73 HPGD (0.47) HPGDNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL30848451 0.73 HPGD (0.47) HPGDNPC1RAB9ATP53SMN1; SMN2
SCHEMBL10279699 0.73 NPC1 (0.48) HPGDNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL395687 0.72 HPGD (0.58) HPGDNPC1RAB9ATP53MAPT
SCHEMBL13164041 0.72 PYGL (0.54) HPGDPOLB
SCHEMBL10279697 0.72 CTSL (0.48) HPGDNPC1RAB9ASMN1; SMN2P2RX7

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