SCHEMBL14796802

SCHEMBL14796802

O=C(Nc1cccc2cccnc12)[C@H]1CCCN1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.55
TDP1 Q9NUW8 3/20 0.51
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 3/20 0.50
KDR P35968 3/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
RECQL P46063 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
WNT3 P56703 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL5442531 1.00 HIF1A (0.55) HIF1ATDP1POLBSMN1; SMN2HTT
SCHEMBL28243675 1.00 HIF1A (0.55) HIF1ATDP1POLBSMN1; SMN2HTT
SCHEMBL31406374 0.80 ALDH1A1 (0.61) HIF1ATDP1POLBSMN1; SMN2HTT
SCHEMBL28400031 0.80 ALDH1A1 (0.65) HIF1ATDP1POLBSMN1; SMN2HTT
SCHEMBL22264710 0.80 WNT3 (0.66) HIF1ATDP1POLBSMN1; SMN2HTT
SCHEMBL31321007 0.80 WNT3 (0.66) HIF1ATDP1POLBSMN1; SMN2HTT
SCHEMBL10326974 0.79 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL17676967 0.79 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL11119709 0.79 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL28400036 0.79 ALDH1A1 (0.67) HIF1ATDP1POLBSMN1; SMN2HTT

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
CN-108610358-A 3- (trimethyl silicon substrate) pyrrolidines -2- carboxylic acids, wherein mesosome and preparation and application 上海交通大学 2018-10-02 CN claimed
EP-2772476-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL HAMARI CHEMICALS LTD (JP) 2017-01-11 EP claimed
EP-2733138-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE TETRAHYDROQUINOLINE HAMARI CHEMICALS LTD (JP) 2016-09-28 EP claimed
EP-2172443-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE HAMARI CHEMICALS LTD (JP) 2013-03-27 EP claimed
CN-108610358-A 3- (trimethyl silicon substrate) pyrrolidines -2- carboxylic acids, wherein mesosome and preparation and application 上海交通大学 2018-10-02 CN disclosed