SCHEMBL24976158

SCHEMBL24976158

CC(C)c1ccc2cc(C(=O)N3CCN(C)CC3)ccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.74
TSHR P16473 2/20 0.74
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 4/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
AKR1C1 Q04828 1/20 0.52
POLB P06746 3/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
ALOX15 P16050 2/20 0.49
MAPT P10636 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL20449044 0.88 HPGD (0.87) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL4548025 0.85 TSHR (1.00) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL104400 0.85 KMT2A (0.78) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL104359 0.82 HPGD (0.60) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL6345968 0.81 HPGD (0.75) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL12591836 0.81 KMT2A (0.71) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL17465250 0.79 KMT2A (0.85) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL2378399 0.79 HPGD (0.73) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL14200320 0.79 KMT2A (0.54) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL10495198 0.78 ALDH1A1 (0.89) HPGDMEN1KMT2AALDH1A1LMNA

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-2023009833-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-02-02 WO disclosed