SCHEMBL9530592

SCHEMBL9530592

CC1C[CH]c2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ AKR1B1 P15121 1/20 0.34
▸ POLB P06746 3/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ NPC1 O15118 3/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 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
▸ HTR1A P08908 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL20768161 0.75 P2RY6 (0.33) ABCG2ITGB2ICAM1ITGALP2RY6
SCHEMBL9531349 0.75 POLB (0.40) HPGDPOLBNPC1RAB9AMAPT
SCHEMBL22554927 0.75 CREBBP (0.44) BRD4CREBBPKDM4EALDH1A1AKR1B1
SCHEMBL5884655 0.72 MAOB (0.47) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL9532685 0.72 POLB (0.38) HPGDPOLBMAPTSMN1; SMN2
SCHEMBL30124141 0.71 BRD4 (0.40) BRD4CREBBPKDM4EALDH1A1HPGD
SCHEMBL8605993 0.69 BRD4 (0.42) BRD4CREBBPKDM4EALDH1A1HPGD
SCHEMBL6639183 0.69 SIRT1 (0.43) POLBMEN1KMT2ANISCH
SCHEMBL158578 0.66 — —
SCHEMBL24214454 0.65 NISCH (0.46) BRD4CREBBPALDH1A1AKR1B1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277384-A2 1H-imidazole-5-carboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-08-10 — — EP claimed
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
EP-0277384-A2 1H-imidazole-5-carboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-08-10 — — EP disclosed
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