SCHEMBL436716

SCHEMBL436716

Nc1c(C(=O)O)cnc2c(Cl)cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 1.00
NR4A2 P43354 1/20 0.46
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
DHODH Q02127 2/20 0.41
BTK Q06187 2/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
IGF1R P08069 1/20 0.41
MET P08581 1/20 0.41

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
SCHEMBL7494135 0.84 HAVCR2 (0.72) HAVCR2NR4A2TSHRALDH1A1KMT2A
SCHEMBL11867822 0.83 HAVCR2 (0.70) HAVCR2NR4A2TSHRALDH1A1KMT2A
SCHEMBL439785 0.81 HAVCR2 (0.68) HAVCR2TSHRALDH1A1KMT2ARAB9A
SCHEMBL437026 0.81 HAVCR2 (0.68) HAVCR2NR4A2KMT2ARAB9ANPC1
SCHEMBL436434 0.81 HAVCR2 (0.68) HAVCR2ALDH1A1KMT2ARAB9ANPC1
SCHEMBL436633 0.81 HAVCR2 (0.68) HAVCR2KMT2ARAB9ANPC1BTK
Hydrochloric Acid SCHEMBL11869520 0.81 HAVCR2 (0.68) HAVCR2NR4A2TSHRALDH1A1KMT2A
SCHEMBL10126289 0.81 HAVCR2 (0.68) HAVCR2BTKAURKAPARP1G6PD
SCHEMBL437260 0.80 HAVCR2 (0.67) HAVCR2ALDH1A1KMT2ARAB9ANPC1
SCHEMBL440425 0.79 KMT2A (0.68) HAVCR2ALDH1A1KMT2ARAB9ANPC1

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed