SCHEMBL30876201

SCHEMBL30876201

O=C(Nc1cc(F)ccc1F)c1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.55
RAB9A P51151 2/20 0.55
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
TAS1R2 Q8TE23 1/20 0.55
GRM4 Q14833 1/20 0.53
KCNMA1 Q12791 1/20 0.52
ACLY P53396 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.50
RORC P51449 1/20 0.50

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
SCHEMBL6300608 0.78 SMO (0.71) HPGDCYP1A2CYP2C19MAPTKDM4E
SCHEMBL30370145 0.78 HDAC1 (0.71) HPGDMAPTRAB9AKMT2ANPC1
SCHEMBL1308014 0.77 HPGD (0.68) HPGDCYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL11578739 0.77 KCNK3 (0.68) HPGDMAPTLMNARAB9AKMT2A
SCHEMBL15779461 0.77 MAPT (0.59) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL6847222 0.77 HPGD (0.58) HPGDCYP1A2CYP2C19MAPTKDM4E
SCHEMBL28598714 0.76 CYP1A2 (0.62) HPGDCYP1A2CYP2C19MAPTRAB9A
SCHEMBL9352497 0.75 KMT2A (0.55) MAPTLMNARAB9AKMT2ANPC1
SCHEMBL6362508 0.75 HPGD (0.50) HPGDCYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL5445940 0.75 ALDH1A1 (0.62) HPGDMAPTKDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118126043-B PLK4 inhibitor with high selectivity and preparation method and application thereof 沈阳药科大学 2025-01-28 CN claimed
WO-2024114574-A1 HIGH-SELECTIVITY PLK4 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 沈阳药科大学 2024-06-06 WO claimed
CN-118126043-A PLK4 inhibitor with high selectivity and preparation method and application thereof 沈阳药科大学 2024-06-04 CN claimed
CN-118126043-B PLK4 inhibitor with high selectivity and preparation method and application thereof 沈阳药科大学 2025-01-28 CN disclosed
WO-2024114574-A1 HIGH-SELECTIVITY PLK4 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 沈阳药科大学 2024-06-06 WO disclosed
CN-118126043-A PLK4 inhibitor with high selectivity and preparation method and application thereof 沈阳药科大学 2024-06-04 CN disclosed