SCHEMBL9227199

SCHEMBL9227199

Oc1ccccc1C1NN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ MAPT P10636 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ ALOX15 P16050 4/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ GAA P10253 3/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ APP P05067 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ SNCA P37840 1/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.45

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
SCHEMBL11230099 0.78 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL8645201 0.72 KMT2A (0.50) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL7608325 0.72 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL9634391 0.72 KMT2A (0.49) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL31169126 0.70 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL27738973 0.70 HTR2A (0.41) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL790665 0.70 HTR2A (0.41) MEN1KMT2AMAPTALDH1A1ALOX15
Catechol SCHEMBL27748884 0.69 — —
Catechol SCHEMBL18422126 0.69 — —
Catechol SCHEMBL30862273 0.69 — —

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-0475751-B1 Working fluid composition for refrigerating machine KAO CORP (JP) 1995-12-06 — — EP disclosed
US-5202044-A Mixture of fluorohydrocarbon, epoxycyclo(pentane or hexane), and ester KAO CORPORATION (JP) 1993-04-13 — — US disclosed
EP-0475751-A1 Working fluid composition for refrigerating machine Kao Corporation (JP) 1992-03-18 — — EP disclosed
Send feedback