SCHEMBL9400355

SCHEMBL9400355

C=CCNC(=O)Cc1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
MEN1 O00255 5/20 0.59
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 2/20 0.59
POLB P06746 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TDP1 Q9NUW8 1/20 0.54
ATM Q13315 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53

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
SCHEMBL8691677 0.81 MTNR1A (0.64) PTPN1
SCHEMBL6530771 0.79 TDP1 (0.62) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL6890681 0.78 CA12 (0.63) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL14691955 0.78 SMN1; SMN2 (0.44) KMT2AKDM4EALDH1A1MAPTPOLB
SCHEMBL7354821 0.78 CA12 (0.66) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL5452784 0.78 KMT2A (0.63) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL11400884 0.77 ALDH1A1 (0.47) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL13485778 0.77 TDP1 (0.65) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL28372184 0.77 TDP1 (0.65) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL7750217 0.77 ATM (0.58) KMT2AMEN1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332759-A Treating a disorder due to vasodilation of the vascular system ADIR ET COMPAGNIE (FR) 1994-07-26 US disclosed
US-3903163-A N,N-Disubstituted naphthaleneacetamidines DOW CHEMICAL CO 1975-09-02 US disclosed