SCHEMBL30135487

SCHEMBL30135487

COc1ncc(/C=C/C(F)(F)F)c(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
METAP2 P50579 1/20 0.38
QPCT Q16769 1/20 0.35
QPCTL Q9NXS2 1/20 0.35
CRHR1 P34998 1/20 0.33
MYC P01106 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 1/20 0.31
TUBB2B Q9BVA1 1/20 0.31

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
SCHEMBL12408963 0.80 QPCT (0.38) CYP1A2METAP2QPCTQPCTLCRHR1
SCHEMBL8966684 0.78 QPCT (0.38) CYP1A2METAP2QPCTQPCTLCRHR1
SCHEMBL8966682 0.78 QPCT (0.38) CYP1A2METAP2QPCTQPCTLCRHR1
SCHEMBL4082660 0.78 QPCT (0.38) CYP1A2METAP2QPCTQPCTLCRHR1
SCHEMBL4082657 0.78 QPCT (0.38) CYP1A2METAP2QPCTQPCTLCRHR1
SCHEMBL16768951 0.78 QPCT (0.39) CYP1A2METAP2QPCTQPCTLCRHR1
SCHEMBL1904655 0.74 QPCT (0.39) CYP1A2METAP2QPCTQPCTLCRHR1
SCHEMBL3930316 0.73 MYC (0.40) QPCTQPCTLMYC
SCHEMBL3322904 0.72 CHRNB2 (0.42) CYP1A2METAP2QPCTQPCTLCRHR1
SCHEMBL3322899 0.72 CHRNB2 (0.42) CYP1A2METAP2QPCTQPCTLCRHR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022216098-A1 NOVEL LRRK2 INHIBITOR 주식회사 스탠다임 2022-10-13 WO disclosed