SCHEMBL9533644

SCHEMBL9533644

[CH]1CC2(CC2)Oc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
UBE2N P61088 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRD1 P41143 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TRPA1 O75762 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
ATM Q13315 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL9531366 0.90 HTR2C (0.37) HTR2CHTR2BMEN1TP53MAPT
SCHEMBL1707125 0.75 MEN1 (0.40) HTR2CHTR2BMEN1TP53MAPT
SCHEMBL9532960 0.71 TSHR (0.37) HTR2CHTR2BMEN1TP53MAPT
SCHEMBL9531727 0.68 MEN1 (0.35) HTR2CHTR2BMEN1TP53MAPT
SCHEMBL9531180 0.67 MEN1 (0.34) HTR2CHTR2BMEN1TP53MAPT
SCHEMBL15388704 0.65 ABCG2 (0.44) MEN1MAPTKMT2ASIGMAR1ABCG2
SCHEMBL22032186 0.65 SIGMAR1 (0.44) HTR2CMEN1TSHRKMT2AOPRD1
SCHEMBL30726648 0.63 HTR2C (0.37) HTR2CHTR2BMEN1TP53MAPT
SCHEMBL13209512 0.61 ALOX5 (0.40) HTR2CHTR2BMAPTTSHRKMT2A
SCHEMBL31318556 0.61 ALOX5 (0.40) HTR2CHTR2BMAPTTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0314852-B1 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA GEIGY AG (CH) 1993-11-18 EP disclosed
US-4921955-A Process for the synthesis of 1-substituted imidazole-5-carboxylic acids and carboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1990-05-01 US disclosed
EP-0314852-A2 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA-GEIGY AG (CH) 1989-05-10 EP disclosed