SCHEMBL6568367

SCHEMBL6568367

COC(=O)c1cccc(Cl)c1-n1cccc1.O=C(O)c1cccc(Cl)c1-n1cccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
NOTUM Q6P988 1/20 0.43
NR4A2 P43354 2/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 5/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
USP2 O75604 1/20 0.40
MT-CO2 P00403 1/20 0.40
TTR P02766 1/20 0.40
PLA2G1B P04054 1/20 0.40
PGR P06401 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 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
SCHEMBL6747916 0.94 NR4A2 (0.47) TSHRNR4A2ALDH1A1KMT2AMAPT
SCHEMBL6570116 0.88 TSHR (0.55) TSHRNOTUMALDH1A1KMT2AMAPT
SCHEMBL6571494 0.85 ALDH1A1 (0.48) NR4A2ALDH1A1KMT2AMAPTCYP1A2
SCHEMBL2158508 0.83 ALDH1A1 (0.50) TSHRALDH1A1KMT2AMAPTLMNA
SCHEMBL16719289 0.78 ALDH1A1 (0.42) TSHRALDH1A1KMT2AMAPTLMNA
SCHEMBL10103507 0.77 HTR7 (0.47) TSHRNR4A2ALDH1A1KMT2AMAPT
SCHEMBL16719847 0.76 KMT2A (0.47) TSHRALDH1A1KMT2AMAPTCYP1A2
SCHEMBL22045254 0.76 TP53 (0.53) TSHRNR4A2ALDH1A1MAPTCYP2C19
SCHEMBL27862033 0.74 ALDH1A1 (0.49) TSHRALDH1A1KMT2AMAPTLMNA
SCHEMBL2159577 0.74 TSHR (0.54) TSHRALDH1A1KMT2AMAPTCYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404644-A2 NOVEL HYDRAZONES Arpida AG, (CH) 2004-04-07 EP disclosed
WO-2002070464-A2 HYDRAZONES AND THEIR THERAPEUTIC USE ARPIDA AG (CH) 2002-09-12 WO disclosed