SCHEMBL11496704

SCHEMBL11496704

Cc1ccc(C)c(NC(=N)c2cc(C(=O)O)c3c4ccc5c6c(ccc(c7ccc(C(=O)Nc8cc(C)ccc8C)c2c73)c64)C(=O)NC5=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ RET P07949 1/20 0.37
▸ MET P08581 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ LTK P29376 1/20 0.37
▸ GRK5 P34947 1/20 0.37

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
SCHEMBL10708450 0.86 KMT2A (0.43) RAB9AMEN1KMT2AGAAPOLB
SCHEMBL8672468 0.84 KMT2A (0.37) MEN1KMT2AALDH1A1POLBMAOA
SCHEMBL1096403 0.81 MEN1 (0.42) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL7773647 0.81 MEN1 (0.39) NPSR1PRKD3MEN1KMT2APOLB
SCHEMBL2683123 0.80 CHEK1 (0.31) CHEK1MEN1KMT2A
SCHEMBL11053579 0.79 RXFP1 (0.43) NPSR1MEN1KMT2AKDM4E
SCHEMBL9323129 0.79 MEN1 (0.45) AURKAPDGFRAGSK3BAURKBMEN1
SCHEMBL5574890 0.77 KDM4E (0.41) RAB9AHSD17B10CHEK1MEN1KMT2A
SCHEMBL2867820 0.77 TAS1R3 (0.31) ALDH1A1KDM4E
SCHEMBL11051280 0.77 MEN1 (0.44) RAB9AMEN1KMT2AALDH1A1TP53

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
US-4230858-A CRYSTALLIZATION, RED SHADES BASF AKTIENGESELLSCHAFT (DE) 1980-10-28 — — US disclosed
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