SCHEMBL7714067

SCHEMBL7714067

N=C(N)C(=Cc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 3/20 0.59
MAPT P10636 6/20 0.50
KMT2A Q03164 5/20 0.50
HPGD P15428 5/20 0.50
MEN1 O00255 4/20 0.50
LMNA P02545 4/20 0.50
HTT P42858 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
F12 P00748 1/20 0.48
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
PKM P14618 1/20 0.48
BLM P54132 1/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 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
SCHEMBL9280210 0.85 AKR1C1 (0.61) AKR1C1MAPTKMT2AHPGDMEN1
SCHEMBL2719795 0.83 NQO2 (0.54) AKR1C1MAPTKMT2AMEN1ALDH1A1
SCHEMBL3296981 0.82 AKR1C1 (0.74) AKR1C1MAPTKMT2AHPGDMEN1
SCHEMBL80025 0.82 AKR1C1 (0.74) AKR1C1MAPTKMT2AHPGDMEN1
SCHEMBL23593943 0.79 AKR1C1 (0.70) AKR1C1MAPTKMT2AHPGDMEN1
SCHEMBL6689798 0.79 AKR1C1 (0.70) AKR1C1MAPTKMT2AHPGDMEN1
SCHEMBL2836206 0.79 AKR1C1 (0.70) AKR1C1MAPTKMT2AHPGDMEN1
SCHEMBL3654785 0.76 MCL1 (0.42) AKR1C1KMT2AALDH1A1F2F10
SCHEMBL1386540 0.75 AKR1C1 (0.70) AKR1C1MAPTKMT2AHPGDMEN1
SCHEMBL236283 0.74 MCL1 (0.48) AKR1C1ALDH1A1F2F10F12

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
US-6372451-B1 Histochemical labeling stain for myelin in brain tissue SCHMUED LAURENCE C (US) 2002-04-16 US disclosed
US-4716905-A Method of retrograde fluorescent labeling of neurons FLUOROCHROME, INC. (US) 1988-01-05 US disclosed
US-4716905-A Method of retrograde fluorescent labeling of neurons FLUOROCHROME, INC. (US) 1988-01-05 US disclosed