SCHEMBL30848447

SCHEMBL30848447

O=C(NCC1(F)CC1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
P2RX7 Q99572 1/20 0.55
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KCNA3 P22001 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX2 P34913 1/20 0.45
PRSS1 P07477 1/20 0.45
CTSG P08311 1/20 0.45
CTRB1 P17538 1/20 0.45
CMA1 P23946 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL25713063 0.93 LMNA (0.60) LMNAP2RX7GAASMN1; SMN2ALDH1A1
SCHEMBL1971598 0.89 LMNA (0.52) LMNAP2RX7GAASMN1; SMN2ALDH1A1
SCHEMBL12856160 0.80 LMNA (0.61) LMNAP2RX7GAASMN1; SMN2ALDH1A1
SCHEMBL30914523 0.79 LMNA (0.59) LMNAP2RX7GAASMN1; SMN2ALDH1A1
SCHEMBL8640906 0.79 LMNA (0.59) LMNAP2RX7GAASMN1; SMN2ALDH1A1
SCHEMBL21769866 0.78 P2RX7 (0.59) LMNAP2RX7GAASMN1; SMN2ALDH1A1
SCHEMBL28280153 0.77 LMNA (0.62) LMNAP2RX7GAASMN1; SMN2ALDH1A1
SCHEMBL25714094 0.77 CYP1A2 (0.48) LMNASMN1; SMN2ALDH1A1POLBMAPK1
SCHEMBL30848437 0.77 P2RX7 (0.59) P2RX7SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL28281220 0.76 LMNA (0.65) LMNAP2RX7GAASMN1; SMN2ALDH1A1

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