SCHEMBL29452986

SCHEMBL29452986

Clc1ccnc(-c2ccoc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.43
ALDH1A1 P00352 8/20 0.43
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
USP2 O75604 5/20 0.43
CYP2D6 P10635 4/20 0.43
CYP2C19 P33261 3/20 0.43
TP53 P04637 2/20 0.43
CYP1A2 P05177 6/20 0.41
HSD17B10 Q99714 4/20 0.41
ALOX15 P16050 4/20 0.41
KDM5B Q9UGL1 1/20 0.41
CYP3A4 P08684 4/20 0.40
CLK4 Q9HAZ1 4/20 0.40
FYN P06241 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36

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
SCHEMBL12463850 0.77 FYN (0.46) PIM1ALDH1A1MEN1KMT2AUSP2
SCHEMBL29452924 0.77 CCR1 (0.59) PIM1ALDH1A1MEN1KMT2AUSP2
SCHEMBL842175 0.77 CCR1 (0.59) PIM1ALDH1A1MEN1KMT2AUSP2
SCHEMBL827247 0.76 CCR1 (0.48) PIM1ALDH1A1TP53CYP1A2HSD17B10
SCHEMBL28534710 0.76 ALDH1A1 (0.53) PIM1ALDH1A1MEN1KMT2AUSP2
SCHEMBL1662224 0.74 ASIC3 (0.59) PIM1ALDH1A1MEN1KMT2ACCR1
SCHEMBL13294776 0.73 MAPT (0.40) PIM1ALDH1A1MEN1KMT2AUSP2
SCHEMBL14538298 0.73 CCR1 (0.63) PIM1ALDH1A1MEN1KMT2AUSP2
SCHEMBL13388039 0.73 ERN1 (0.41) PIM1ALDH1A1MEN1KMT2AUSP2
SCHEMBL2099096 0.72 KDM4E (0.52) PIM1ALDH1A1MEN1KMT2AUSP2

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
CN-108424423-B Novel heteroleptic iridium complexes 通用显示公司 2022-02-11 CN disclosed