SCHEMBL7894602

SCHEMBL7894602

O=c1c2ccccc2c(-c2ccccc2)nn1NC(=S)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ ALOX15 P16050 1/20 0.48
▸ ALOX12 P18054 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ TSHR P16473 1/20 0.45
▸ POLB P06746 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ENPP1 P22413 2/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PKM P14618 1/20 0.43

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
SCHEMBL7892197 0.87 LIPG (0.42) ALDH1A1ALOX15ALOX12HPGDMEN1
SCHEMBL7892210 0.86 ALDH1A1 (0.52) ALDH1A1ALOX15HPGDMEN1KMT2A
SCHEMBL7896107 0.82 MAPT (0.48) ALDH1A1ALOX15HPGDMEN1KMT2A
SCHEMBL7885140 0.78 ALOX15 (0.54) ALDH1A1ALOX15HPGDMEN1KMT2A
SCHEMBL7892188 0.77 ALDH1A1 (0.53) ALDH1A1ALOX15HPGDMEN1KMT2A
SCHEMBL7893043 0.73 KMT2A (0.73) ALDH1A1ALOX15HPGDMEN1KMT2A
SCHEMBL1788479 0.72 ALDH1A1 (0.59) ALDH1A1ALOX15HPGDMEN1KMT2A
SCHEMBL30796074 0.72 ALDH1A1 (0.53) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL30794643 0.72 MAPT (0.56) ALDH1A1ALOX15HPGDMEN1KMT2A
SCHEMBL30795705 0.72 ALDH1A1 (0.59) ALDH1A1ALOX15HPGDMEN1KMT2A

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
US-6180629-B1 INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION, INCLUDING PRECANCEROUS AND CANCEROUS LESIONS CELL PATHWAYS, INC. 2001-01-30 — — US disclosed
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