SCHEMBL17028404

SCHEMBL17028404

N#CCCN=C(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.38
CYP19A1 P11511 1/20 0.36
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
MEN1 O00255 3/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL783512 0.79 ALDH1A1 (0.45) KMT2AALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL11093573 0.76 HTR3A (0.43) KMT2AALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL10298173 0.74 ALDH1A1 (0.41) KMT2AALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL6237735 0.72 KMT2A (0.45) KMT2AALDH1A1SMN1; SMN2CYP1A2MEN1
SCHEMBL2758662 0.72 ATM (0.45) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2D6
SCHEMBL30762088 0.71 GRIN1 (0.66) KMT2AALDH1A1HPGDSMN1; SMN2CYP2D6
SCHEMBL122370 0.71 ALDH1A1 (0.43) KMT2AALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL2331407 0.69 NR4A2 (0.52) KMT2AALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL12693602 0.69 PTGS2 (0.46) ALDH1A1ATM
SCHEMBL10298183 0.69 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2CYP1A2CYP2D6POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026433-A2 NOVEL DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-02-01 WO disclosed
WO-2023245166-A2 COMPOUNDS FOR TREATMENT OF A CORONAVIRUS INFECTION TRAWSFYNYDD THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed
EP-3114129-A1 IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-01-11 EP disclosed
WO-2015126751-A1 IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed