SCHEMBL19203563

SCHEMBL19203563

CCc1cc(C)ccc1N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MAPT P10636 7/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
ALDH1A3 P47895 2/20 0.45
TP53 P04637 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
NR4A1 P22736 1/20 0.43
PTK2B Q14289 1/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 3/20 0.42
POLB P06746 1/20 0.41
RAB9A P51151 4/20 0.41
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RECQL P46063 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL15871966 0.98 MAPT (0.49) ALDH1A1MAPTMCOLN3ALDH1A3TP53
SCHEMBL13326993 0.87 MEN1 (0.47) ALDH1A1MAPTMCOLN3ALDH1A3TP53
SCHEMBL12072936 0.86 HTR1A (0.51) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL19446858 0.84 HTR1A (0.53)
Hydrochloric Acid SCHEMBL2366257 0.83 HTR1A (0.54)
SCHEMBL16793166 0.82 NCF1 (0.46) ALDH1A1MAPTMCOLN3ALDH1A3TP53
SCHEMBL23440705 0.80 HPGD (0.51) ALDH1A1MAPTALDH1A3TP53MEN1
SCHEMBL22350739 0.80 ALDH1A1 (0.53) ALDH1A1MCOLN3ALDH1A3MEN1KMT2A
SCHEMBL15509139 0.80 MAPT (0.59) ALDH1A1MAPTALDH1A3MEN1KMT2A
SCHEMBL23473245 0.79 TP53 (0.36) ALDH1A1MAPTTP53MEN1KMT2A

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-2017132173-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. (US) 2017-08-03 WO disclosed