SCHEMBL14613499

SCHEMBL14613499

Cn1cccc1Cc1ccc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KAT8 Q9H7Z6 1/20 0.33
▸ TAAR1 Q96RJ0 2/20 0.33

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
SCHEMBL21958205 0.79 MAOA (0.36) MAOAKAT8
SCHEMBL10103709 0.77 MEN1 (0.44) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL28363242 0.75 MAOA (0.33) MAOAKAT8
SCHEMBL23808907 0.74 RAB9A (0.50) MEN1KMT2AALDH1A1CYP3A4CYP2D6
Fluoride Ion SCHEMBL31521528 0.73 MAOA (0.44) MAOAKAT8
SCHEMBL79201 0.72 MAOA (0.47) MAOAKAT8
SCHEMBL13291655 0.71 MAOA (0.30) MAOA
SCHEMBL12694275 0.70 MAPT (0.36) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL11201523 0.70 TRIM24 (0.43) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL6284681 0.70 MAOA (0.45) MAOAKAT8

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
WO-2007018808-A2 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2007-02-15 — — WO disclosed
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