SCHEMBL6966631

SCHEMBL6966631

N=C(Nc1ccc(CCN)cc1)c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.43
NPC1 O15118 8/20 0.43
POLB P06746 2/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
PTPN11 Q06124 1/20 0.43
TP53 P04637 5/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
HTR2A P28223 2/20 0.40
CYP2A6 P11509 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
GFER P55789 1/20 0.40

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
Oxalic Acid SCHEMBL27373636 0.93 RAB9A (0.47) RAB9ANPC1POLBPTPN2PTPN1
SCHEMBL28898828 0.82 PTPN2 (0.67) RAB9ANPC1POLBPTPN2PTPN1
SCHEMBL8177963 0.76 TRPV1 (0.60) RAB9ANPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL7079340 0.75 NPC1 (0.39) RAB9ANPC1POLBLMNASMN1; SMN2
SCHEMBL7132056 0.74 RAB9A (0.61) RAB9ANPC1POLBPTPN2PTPN1
SCHEMBL13911596 0.73 TAAR1 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL6961820 0.72 KDM1A (0.39) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL5378881 0.72 MEN1 (0.47) RAB9ANPC1POLBTP53LMNA
SCHEMBL14260118 0.71 KMT2A (0.60) RAB9ANPC1POLBTP53LMNA
Bromide SCHEMBL7202745 0.70 NOS3 (0.46) POLBALDH1A1KMT2AHTR2ACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP claimed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO claimed
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed