SCHEMBL31540469

SCHEMBL31540469

C=C(C)COc1ncccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ MGMT P16455 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ DRD1 P21728 1/20 0.36
▸ GPR174 Q9BXC1 1/20 0.35
▸ MEN1 O00255 6/20 0.33
▸ KMT2A Q03164 6/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ KDM4E B2RXH2 2/20 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
SCHEMBL18053855 1.00 CDK1 (0.42) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL1480240 0.76 HPGD (0.44) HPGDALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL3642504 0.73 NPC1 (0.41) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL10158674 0.73 GPR174 (0.41) GPR174MEN1KMT2AHPGDALDH1A1
SCHEMBL27703269 0.71 KDM4E (0.43) DRD1HPGDALDH1A1LMNAKDM4E
SCHEMBL20587874 0.71 MAPT (0.42) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL760839 0.71 — —
SCHEMBL30601875 0.71 — —
SCHEMBL18785800 0.70 MAPT (0.38) GPR174MEN1KMT2AHPGDALDH1A1
SCHEMBL19686190 0.69 TSHR (0.48) GPR174HPGDALDH1A1CCR8LMNA

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-2025068985-A1 1-(1-OXO-1,2-DIHYDROPHTHALAZIN-6-YL)CYCLOALKYL-1-CARBOXAMIDE DERIVATIVES AS MTA-COOPERATIVE INHIBITORS OF PRMT5 BEIGENE SWITZERLAND GMBH (CH) 2025-04-03 — — WO disclosed
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