SCHEMBL24865640

SCHEMBL24865640

Cn1nnc2cc(Nc3ccc(N4CCC(C(F)(F)F)CC4)cc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 7/20 0.38
HSD17B10 Q99714 5/20 0.38
MAPT P10636 5/20 0.38
BCL6 P41182 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
NSD2 O96028 1/20 0.37
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
BRD4 O60885 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL24865648 0.91 GRM4 (0.40) ALDH1A1KDM4EMAPTBCL6NSD2
SCHEMBL24865699 0.86 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1HPGDKDM4E
SCHEMBL24865606 0.82 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1HPGDKDM4E
SCHEMBL24865759 0.81 BCL6 (0.40) ALDH1A1KDM4EMAPTBCL6MAPK1
SCHEMBL24865776 0.80 CDC7 (0.43) ALDH1A1BCL6BRD4
SCHEMBL30885115 0.79 BCL6 (0.44) HPGDKDM4EMAPTBCL6
SCHEMBL24865459 0.77 BCL6 (0.46) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL24865755 0.77 EGFR (0.40) ALDH1A1KDM4EMAPTBCL6MAPK1
SCHEMBL24865299 0.77 BCL6 (0.50) ALDH1A1HSD17B10BCL6SMN1; SMN2HTT
SCHEMBL24865669 0.77 BCL6 (0.42) ALDH1A1KDM4EMAPTBCL6MAPK1

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-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed